[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate CAS Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Traditional Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C21H15FN2O8S MolecularWeight: 474.415803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H15FN2O8S/c22-15-6-8-16(9-7-15)23-20(25)13-31-21(26)14-4-10-18(11-5-14)32-33(29,30)19-3-1-2-17(12-19)24(27)28/h1-12H,13H2,(H,23,25)