[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C21H15ClN2O5S MolecularWeight: 442.8722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN2O5S/c22-17-11-10-14(24(27)28)12-16(17)21(26)29-13-20(25)23-18-8-4-5-9-19(18)30-15-6-2-1-3-7-15/h1-12H,13H2,(H,23,25)