Consensus flow list

Methyl N-[3-(acetylamino)-4-(2-cyano-4-nitrophenylazo)phenyl]-n-(2-methoxy-2-oxoethyl)glycinate

fo-64f2cf72a486ecb3

Identity

Type
Neutral molecule
CAS
149850-30-6
EC
413-040-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Methyl N-[3-(acetylamino)-4-(2-cyano-4-nitrophenylazo)phenyl]-n-(2-methoxy-2-oxoethyl)glycinate

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DSYAJHRMVXOBRK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H20N6O7/c1-13(28)23-19-9-15(26(11-20(29)33-2)12-21(30)34-3)4-7-18(19)25-24-17-6-5-16(27(31)32)8-14(17)10-22/h4-9H,11-12H2,1-3H3,(H,23,28)
IUPAC name chemrof:IUPAC_name N-[3-(Acetylamino)-4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]-N-(2-methoxy-2-oxoethyl)glycine methyl ester
Molecular formula chemrof:molecular_formula C21H20N6O7
Molecular mass chemrof:molecular_mass 468.426
Monoisotopic mass chemrof:monoisotopic_mass 468.139347
SMILES string chemrof:smiles_string COC(=O)CN(CC(=O)OC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)c(NC(C)=O)c1

Known URLs

6

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=149850-30-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.101.231 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90889003 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.644.347F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/57348669 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82868787 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f9d553d7-3862-4b95-89fc-ec0eb40505ed Environmental → Air → Aircraft cruise height EF 3.1 kg 4
70d35704-a931-498e-97b5-7164d1942450 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3e11e792-11a0-4a8c-b5fe-9a82f887c5a5 Environmental → Air → Indoor EF 3.1 kg 4
fd944702-17f8-46b5-a367-bac75b769f21 Environmental → Air → Long-term EF 3.1 kg 0
2879ae22-7687-4ed5-826b-86d3b21d8c35 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c08dd3bf-fc5b-49e9-b9c1-62abb1c5e64f Environmental → Air → Unknown EF 3.1 kg 4
3eb7bc38-6cfe-4ba8-b991-b0bb29dae028 Environmental → Ground → Agricultural EF 3.1 kg 4
5e770ec7-a227-47de-ae55-91d76072939e Environmental → Ground → Non-agricultural EF 3.1 kg 4
5d6a57e8-adb8-4d7c-8c78-7231da8f28f9 Environmental → Ground → Unknown EF 3.1 kg 4
7316fdf1-4b3f-495c-b632-57c74c7fe8dd Environmental → Water → Long-term EF 3.1 kg 0
9da95a6d-29b5-4ec3-8e96-c87d9e54356d Environmental → Water → Ocean EF 3.1 kg 4
111b9b73-3ed0-4e85-b2b2-e5b6a3af9e7c Environmental → Water → Surface water EF 3.1 kg 4
4c31d0f8-7146-4e18-b6cb-15d3679f9441 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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