methyl 3-[2-cyanoethyl-[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]amino]propanoate

Systemtic Name: methyl 3-[2-cyanoethyl-[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]amino]propanoate Openeye Name: methyl 3-[N-(2-cyanoethyl)-4-(2-cyano-4-nitro-phenyl)azo-anilino]propanoate CAS Name: 3-[N-(2-cyanoethyl)-4-(2-cyano-4-nitrophenyl)azoanilino]propanoic acid methyl ester IUPAC Name: methyl 3-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]propanoate Traditional Name: 3-[N-(2-cyanoethyl)-4-(2-cyano-4-nitro-phenyl)azo-anilino]propionic acid methyl ester Formula: C20H18N6O4 MolecularWeight: 406.39472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

COC(=O)CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H18N6O4/c1-30-20(27)9-12-25(11-2-10-21)17-5-3-16(4-6-17)23-24-19-8-7-18(26(28)29)13-15(19)14-22/h3-8,13H,2,9,11-12H2,1H3