[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C21H16N2O5S MolecularWeight: 408.42714

Click to see the large picture

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)15-7-6-8-16(13-15)23(26)27)22-18-11-4-5-12-19(18)29-17-9-2-1-3-10-17/h1-13H,14H2,(H,22,24)