2-[[4-[(2-bromanyl-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]-(2-cyanoethyl)amino]ethyl ethanoate

Systemtic Name: 2-[[4-[(2-bromanyl-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]-(2-cyanoethyl)amino]ethyl ethanoate Openeye Name: 2-[4-(2-bromo-4-nitro-phenyl)azo-N-(2-cyanoethyl)-3-methyl-anilino]ethyl acetate CAS Name: acetic acid 2-[4-(2-bromo-4-nitrophenyl)azo-N-(2-cyanoethyl)-3-methylanilino]ethyl ester IUPAC Name: 2-[4-[(2-bromo-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)-3-methylanilino]ethyl acetate Traditional Name: acetic acid 2-[4-(2-bromo-4-nitro-phenyl)azo-N-(2-cyanoethyl)-3-methyl-anilino]ethyl ester Formula: C20H20BrN5O4 MolecularWeight: 474.3079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C20H20BrN5O4/c1-14-12-16(25(9-3-8-22)10-11-30-15(2)27)4-6-19(14)23-24-20-7-5-17(26(28)29)13-18(20)21/h4-7,12-13H,3,9-11H2,1-2H3