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

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-dimethyl-5-sulfamoyl-benzoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 3,4-dimethyl-5-sulfamoyl-benzoate CAS Name: 3,4-dimethyl-5-sulfamoylbenzoic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 3,4-dimethyl-5-sulfamoylbenzoate Traditional Name: 3,4-dimethyl-5-sulfamoyl-benzoic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18FN3O7S MolecularWeight: 439.414823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)OC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)OC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])S(=O)(=O)N)C

InChI

InChI=1S/C18H18FN3O7S/c1-9-6-12(7-16(10(9)2)30(20,27)28)18(24)29-11(3)17(23)21-13-4-5-14(19)15(8-13)22(25)26/h4-8,11H,1-3H3,(H,21,23)(H2,20,27,28)