[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-(methylsulfamoyl)benzoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-(methylsulfamoyl)benzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-fluoro-5-(methylsulfamoyl)benzoate CAS Name: 2-fluoro-5-(methylsulfamoyl)benzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate Traditional Name: 2-fluoro-5-(methylsulfamoyl)benzoic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C17H16FN3O7S MolecularWeight: 425.388243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16FN3O7S/c1-10-3-4-11(7-15(10)21(24)25)20-16(22)9-28-17(23)13-8-12(5-6-14(13)18)29(26,27)19-2/h3-8,19H,9H2,1-2H3,(H,20,22)