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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)NC(=O)COC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)F)NC(=O)COC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

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