2-[2-cyanoethyl-[4-[(4-nitrophenyl)diazenyl]phenyl]amino]ethyl benzoate

Systemtic Name: 2-[2-cyanoethyl-[4-[(4-nitrophenyl)diazenyl]phenyl]amino]ethyl benzoate Openeye Name: 2-[N-(2-cyanoethyl)-4-(4-nitrophenyl)azo-anilino]ethyl benzoate CAS Name: benzoic acid 2-[N-(2-cyanoethyl)-4-(4-nitrophenyl)azoanilino]ethyl ester IUPAC Name: 2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl benzoate Traditional Name: benzoic acid 2-[N-(2-cyanoethyl)-4-(4-nitrophenyl)azo-anilino]ethyl ester Formula: C24H21N5O4 MolecularWeight: 443.45464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N5O4/c25-15-4-16-28(17-18-33-24(30)19-5-2-1-3-6-19)22-11-7-20(8-12-22)26-27-21-9-13-23(14-10-21)29(31)32/h1-3,5-14H,4,16-18H2