[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C25H22N2O7 MolecularWeight: 462.45138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C25H22N2O7/c1-15-8-10-17(11-9-15)23(28)19-6-4-5-7-20(19)25(30)34-16(2)24(29)26-21-14-18(27(31)32)12-13-22(21)33-3/h4-14,16H,1-3H3,(H,26,29)