[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[(4-methylphenyl)carbonylamino]benzoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[(4-methylphenyl)carbonylamino]benzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 4-[(4-methylbenzoyl)amino]benzoate CAS Name: 4-[[(4-methylphenyl)-oxomethyl]amino]benzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 4-[(4-methylbenzoyl)amino]benzoate Traditional Name: 4-(p-toluoylamino)benzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C23H18N2O6 MolecularWeight: 418.39882

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O6/c1-15-5-7-16(8-6-15)22(27)24-19-11-9-17(10-12-19)23(28)31-14-21(26)18-3-2-4-20(13-18)25(29)30/h2-13H,14H2,1H3,(H,24,27)