[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-sulfamoyl-benzoate

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-sulfamoyl-benzoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-chloro-5-sulfamoyl-benzoate CAS Name: 2-chloro-5-sulfamoylbenzoic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate Traditional Name: 2-chloro-5-sulfamoyl-benzoic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C16H13ClFN3O7S MolecularWeight: 445.806723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl

InChI

InChI=1S/C16H13ClFN3O7S/c1-8(15(22)20-9-2-5-13(18)14(6-9)21(24)25)28-16(23)11-7-10(29(19,26)27)3-4-12(11)17/h2-8H,1H3,(H,20,22)(H2,19,26,27)