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

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate CAS Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C21H15FN2O7S MolecularWeight: 458.416403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H15FN2O7S/c22-15-8-10-17(11-9-15)32(29,30)23-19-7-2-1-6-18(19)21(26)31-13-20(25)14-4-3-5-16(12-14)24(27)28/h1-12,23H,13H2