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

Systemtic Name: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(2-bromoanilino)-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-(2-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromoanilino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-(2-bromoanilino)-2-keto-ethyl] ester Formula: C16H13BrN2O7S MolecularWeight: 457.25262

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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=C2Br)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2Br)[N+](=O)[O-]

InChI

InChI=1S/C16H13BrN2O7S/c1-27(24,25)14-7-6-10(8-13(14)19(22)23)16(21)26-9-15(20)18-12-5-3-2-4-11(12)17/h2-8H,9H2,1H3,(H,18,20)