[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 4-[(4-bromophenyl)sulfonylamino]benzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 4-(brosylamino)benzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C21H15BrN2O7S MolecularWeight: 519.322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H15BrN2O7S/c22-16-6-10-19(11-7-16)32(29,30)23-17-8-4-14(5-9-17)21(26)31-13-20(25)15-2-1-3-18(12-15)24(27)28/h1-12,23H,13H2