[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C16H13ClN2O5S MolecularWeight: 380.80282

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN2O5S/c1-25-12-4-2-3-11(8-12)18-15(20)9-24-16(21)10-5-6-13(17)14(7-10)19(22)23/h2-8H,9H2,1H3,(H,18,20)