[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H15FN2O7S MolecularWeight: 410.373603

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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=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H15FN2O7S/c1-10(16(21)19-12-6-7-14(18)15(9-12)20(23)24)27-17(22)11-4-3-5-13(8-11)28(2,25)26/h3-10H,1-2H3,(H,19,21)