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

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-keto-2-(m-anisidino)-1-phenyl-ethyl] ester Formula: C23H20N2O8S MolecularWeight: 484.4785

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O8S/c1-32-18-10-6-9-17(14-18)24-22(26)21(15-7-4-3-5-8-15)33-23(27)16-11-12-20(34(2,30)31)19(13-16)25(28)29/h3-14,21H,1-2H3,(H,24,26)