[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-sulfamoyl-benzoate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-sulfamoyl-benzoate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 2-fluoro-5-sulfamoyl-benzoate CAS Name: 2-fluoro-5-sulfamoylbenzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate Traditional Name: 2-fluoro-5-sulfamoyl-benzoic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C15H11ClFN3O7S MolecularWeight: 431.780143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)N)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)N)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])F

InChI

InChI=1S/C15H11ClFN3O7S/c16-8-1-4-12(13(5-8)20(23)24)19-14(21)7-27-15(22)10-6-9(28(18,25)26)2-3-11(10)17/h1-6H,7H2,(H,19,21)(H2,18,25,26)