[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C20H19FN2O6 MolecularWeight: 402.373063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H19FN2O6/c1-12-9-16(17(23(27)28)10-13(12)2)22-19(25)11-29-20(26)8-7-18(24)14-3-5-15(21)6-4-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,25)