methyl 2-(2-fluoranyl-4-nitro-phenyl)-4-sulfamoyl-butanoate

Systemtic Name: methyl 2-(2-fluoranyl-4-nitro-phenyl)-4-sulfamoyl-butanoate Openeye Name: methyl 2-(2-fluoro-4-nitro-phenyl)-4-sulfamoyl-butanoate CAS Name: 2-(2-fluoro-4-nitrophenyl)-4-sulfamoylbutanoic acid methyl ester IUPAC Name: methyl 2-(2-fluoro-4-nitrophenyl)-4-sulfamoylbutanoate Traditional Name: 2-(2-fluoro-4-nitro-phenyl)-4-sulfamoyl-butyric acid methyl ester Formula: C11H13FN2O6S MolecularWeight: 320.294123

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCS(=O)(=O)N)C1=C(C=C(C=C1)[N+](=O)[O-])F

Isomeric SMILES

COC(=O)C(CCS(=O)(=O)N)C1=C(C=C(C=C1)[N+](=O)[O-])F

InChI

InChI=1S/C11H13FN2O6S/c1-20-11(15)9(4-5-21(13,18)19)8-3-2-7(14(16)17)6-10(8)12/h2-3,6,9H,4-5H2,1H3,(H2,13,18,19)