[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(4-methylphenyl)carbonylamino]benzoate

Systemtic Name: [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(4-methylphenyl)carbonylamino]benzoate Openeye Name: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 4-[(4-methylbenzoyl)amino]benzoate CAS Name: 4-[[(4-methylphenyl)-oxomethyl]amino]benzoic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 4-[(4-methylbenzoyl)amino]benzoate Traditional Name: 4-(p-toluoylamino)benzoic acid [2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl] ester Formula: C23H17ClN2O6 MolecularWeight: 452.84388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H17ClN2O6/c1-14-2-4-15(5-3-14)22(28)25-18-9-6-16(7-10-18)23(29)32-13-21(27)17-8-11-19(24)20(12-17)26(30)31/h2-12H,13H2,1H3,(H,25,28)