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

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(diethylsulfamoyl)benzoate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 4-chloro-3-(diethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C19H19ClFN3O7S MolecularWeight: 487.886463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClFN3O7S/c1-3-23(4-2)32(29,30)17-9-12(5-7-14(17)20)19(26)31-11-18(25)22-16-10-13(24(27)28)6-8-15(16)21/h5-10H,3-4,11H2,1-2H3,(H,22,25)