[4-(4-nitrophenyl)sulfanylphenyl]methyl 4-oxidanylidene-4-phenylazanyl-butanoate

Systemtic Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 4-anilino-4-oxo-butanoate CAS Name: 4-anilino-4-oxobutanoic acid [4-[(4-nitrophenyl)thio]phenyl]methyl ester IUPAC Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 4-anilino-4-oxobutanoate Traditional Name: 4-anilino-4-keto-butyric acid [4-[(4-nitrophenyl)thio]benzyl] ester Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O5S/c26-22(24-18-4-2-1-3-5-18)14-15-23(27)30-16-17-6-10-20(11-7-17)31-21-12-8-19(9-13-21)25(28)29/h1-13H,14-16H2,(H,24,26)