Disperse Blue 20302/2078

N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-ethyl-β-alanine cyanomethyl ester
β-Alanine, N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-N-ethyl-, cyanomethyl ester
β-Alanine, N-[5-(acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-ethyl-, cyanomethyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	GOAXCKDKIAWXNK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C22H22BrN7O8/c1-4-28(7-5-21(32)38-8-6-24)18-11-16(25-13(2)31)17(12-20(18)37-3)26-27-22-15(23)9-14(29(33)34)10-19(22)30(35)36/h9-12H,4-5,7-8H2,1-3H3,(H,25,31)
IUPAC name chemrof:IUPAC_name	N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-ethyl-β-alanine cyanomethyl ester
Molecular formula chemrof:molecular_formula	C22H22BrN7O8
Molecular mass chemrof:molecular_mass	592.363
Monoisotopic mass chemrof:monoisotopic_mass	591.071323
SMILES string chemrof:smiles_string	CCN(CCC(=O)OCC#N)c1cc(NC(C)=O)c(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC

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=850546-74-6	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.116.071	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID301107175	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/90138061	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
92ed1361-da0c-4af9-b23b-7385d257c475	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
bf548ff6-ca37-4d3c-b2a2-90b3c7ef2574	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
3732798e-75a4-457d-9887-6442238d4999	Environmental → Air → Indoor	EF 3.1	kg	4
cca77f1e-6e2d-483d-98a3-af1173a01081	Environmental → Air → Long-term	EF 3.1	kg	0
405155a5-c632-4ffa-a65f-fcdc0602db51	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
54fcc935-dbee-49b2-914a-e1af43ea64c1	Environmental → Air → Unknown	EF 3.1	kg	4
76a74c75-7a87-4aa2-98b0-7c5ab0b7cdfa	Environmental → Ground → Agricultural	EF 3.1	kg	4
1d10c8f7-1982-401b-ae01-65c3c1bf283b	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
ff7b2b23-d08b-49ab-8daf-659d02ff10ba	Environmental → Ground → Unknown	EF 3.1	kg	4
ddbf1de1-7d17-41dc-b57c-01fa516995d5	Environmental → Water → Long-term	EF 3.1	kg	0
13519d19-d040-46c4-8d02-60f1401f8fea	Environmental → Water → Ocean	EF 3.1	kg	4
d0f742a2-0da2-4f44-8b2f-38dffd0c9258	Environmental → Water → Surface water	EF 3.1	kg	4
dd32d930-5e45-4cdc-9871-f63a610514c7	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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Disperse Blue 20302/2078

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Structure

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