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

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-fluoranyl-benzoate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-fluoro-benzoate CAS Name: 5-(diethylsulfamoyl)-2-fluorobenzoic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate Traditional Name: 5-(diethylsulfamoyl)-2-fluoro-benzoic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C21H24FN3O8S MolecularWeight: 497.493963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O8S/c1-4-24(5-2)34(30,31)15-8-9-17(22)16(12-15)21(27)33-13-20(26)23-18-10-7-14(32-6-3)11-19(18)25(28)29/h7-12H,4-6,13H2,1-3H3,(H,23,26)