[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C19H17FN2O6 MolecularWeight: 388.346483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN2O6/c1-12(19(25)21-15-3-2-4-16(11-15)22(26)27)28-18(24)10-9-17(23)13-5-7-14(20)8-6-13/h2-8,11-12H,9-10H2,1H3,(H,21,25)