[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3,5-bis(fluoranyl)benzoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3,5-bis(fluoranyl)benzoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3,5-difluorobenzoate CAS Name: 3,5-difluorobenzoic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 3,5-difluorobenzoate Traditional Name: 3,5-difluorobenzoic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C22H16F2N2O5 MolecularWeight: 426.369646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16F2N2O5/c1-13-7-8-18(19(9-13)26(29)30)25-21(27)20(14-5-3-2-4-6-14)31-22(28)15-10-16(23)12-17(24)11-15/h2-12,20H,1H3,(H,25,27)