[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-nitrobenzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O5S/c24-20(14-28-21(25)16-10-4-6-12-18(16)23(26)27)22-17-11-5-7-13-19(17)29-15-8-2-1-3-9-15/h1-13H,14H2,(H,22,24)