[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-nitrobenzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-nitrobenzoate Traditional Name: 4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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