O1-methyl O3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-(4-methylanilino)-2-oxo-1-phenylethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-1-phenyl-2-(p-toluidino)ethyl] ester O1-methyl ester Formula: C24H20N2O7 MolecularWeight: 448.4248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O7/c1-15-8-10-19(11-9-15)25-22(27)21(16-6-4-3-5-7-16)33-24(29)18-12-17(23(28)32-2)13-20(14-18)26(30)31/h3-14,21H,1-2H3,(H,25,27)