[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-(4-fluoro-3-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=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])S(=O)(=O)N)Cl

InChI

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