[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(3-chloroanilino)-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-(3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C16H13ClN2O7S MolecularWeight: 412.80162

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN2O7S/c1-27(24,25)14-6-5-10(7-13(14)19(22)23)16(21)26-9-15(20)18-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3,(H,18,20)