[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)sulfonylamino]-4-methyl-benzoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)sulfonylamino]-4-methyl-benzoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 3-[(4-fluorophenyl)sulfonylamino]-4-methyl-benzoate CAS Name: 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate Traditional Name: 3-[(4-fluorophenyl)sulfonylamino]-4-methyl-benzoic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C22H18FN3O7S MolecularWeight: 487.457623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)F

InChI

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