[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-(m-anisidino)-1-phenyl-ethyl] ester Formula: C23H20N2O6 MolecularWeight: 420.4147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O6/c1-15-13-17(11-12-20(15)25(28)29)23(27)31-21(16-7-4-3-5-8-16)22(26)24-18-9-6-10-19(14-18)30-2/h3-14,21H,1-2H3,(H,24,26)