[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O5S/c22-16-11-10-14(12-18(16)24(27)28)21(26)29-13-20(25)23-17-8-4-5-9-19(17)30-15-6-2-1-3-7-15/h1-12H,13,22H2,(H,23,25)