2-[[4-[[2,6-bis(chloranyl)-4-nitro-phenyl]diazenyl]phenyl]-(2-cyanoethyl)amino]ethyl benzoate

Systemtic Name: 2-[[4-[[2,6-bis(chloranyl)-4-nitro-phenyl]diazenyl]phenyl]-(2-cyanoethyl)amino]ethyl benzoate Openeye Name: 2-[N-(2-cyanoethyl)-4-(2,6-dichloro-4-nitro-phenyl)azo-anilino]ethyl benzoate CAS Name: benzoic acid 2-[N-(2-cyanoethyl)-4-(2,6-dichloro-4-nitrophenyl)azoanilino]ethyl ester IUPAC Name: 2-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]anilino]ethyl benzoate Traditional Name: benzoic acid 2-[N-(2-cyanoethyl)-4-(2,6-dichloro-4-nitro-phenyl)azo-anilino]ethyl ester Formula: C24H19Cl2N5O4 MolecularWeight: 512.34476

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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=C3Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCN(CCC#N)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H19Cl2N5O4/c25-21-15-20(31(33)34)16-22(26)23(21)29-28-18-7-9-19(10-8-18)30(12-4-11-27)13-14-35-24(32)17-5-2-1-3-6-17/h1-3,5-10,15-16H,4,12-14H2