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

Systemtic Name: 2-[2-cyanoethyl-[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]amino]ethyl benzoate Openeye Name: 2-[N-(2-cyanoethyl)-4-(2-cyano-4-nitro-phenyl)azo-anilino]ethyl benzoate CAS Name: benzoic acid 2-[N-(2-cyanoethyl)-4-(2-cyano-4-nitrophenyl)azoanilino]ethyl ester IUPAC Name: 2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl benzoate Traditional Name: benzoic acid 2-[N-(2-cyanoethyl)-4-(2-cyano-4-nitro-phenyl)azo-anilino]ethyl ester Formula: C25H20N6O4 MolecularWeight: 468.4641

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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=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H20N6O4/c26-13-4-14-30(15-16-35-25(32)19-5-2-1-3-6-19)22-9-7-21(8-10-22)28-29-24-12-11-23(31(33)34)17-20(24)18-27/h1-3,5-12,17H,4,14-16H2