[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate CAS Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C22H18FN3O7S MolecularWeight: 487.457623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H18FN3O7S/c1-14-6-11-19(20(12-14)26(29)30)24-21(27)13-33-22(28)17-4-2-3-5-18(17)25-34(31,32)16-9-7-15(23)8-10-16/h2-12,25H,13H2,1H3,(H,24,27)