4-[2-cyanoethyl-[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]amino]-2-phenoxy-butanoate

Systemtic Name: 4-[2-cyanoethyl-[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]amino]-2-phenoxy-butanoate Openeye Name: 4-[N-(2-cyanoethyl)-4-(2-cyano-4-nitro-phenyl)azo-anilino]-2-phenoxy-butanoate CAS Name: 4-[N-(2-cyanoethyl)-4-(2-cyano-4-nitrophenyl)azoanilino]-2-phenoxybutanoate IUPAC Name: 4-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]-2-phenoxybutanoate Traditional Name: 4-[N-(2-cyanoethyl)-4-(2-cyano-4-nitro-phenyl)azo-anilino]-2-phenoxy-butyrate Formula: C26H21N6O5- MolecularWeight: 497.48214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CCN(CCC#N)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC(CCN(CCC#N)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C(=O)[O-]

InChI

InChI=1S/C26H22N6O5/c27-14-4-15-31(16-13-25(26(33)34)37-23-5-2-1-3-6-23)21-9-7-20(8-10-21)29-30-24-12-11-22(32(35)36)17-19(24)18-28/h1-3,5-12,17,25H,4,13,15-16H2,(H,33,34)/p-1