methyl 4-[4-(2-fluoranyl-4-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-6-phenyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 4-[4-(2-fluoranyl-4-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-6-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 4-[4-(2-fluoro-4-nitro-phenyl)piperazin-1-yl]-2-oxo-6-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: 4-[4-(2-fluoro-4-nitrophenyl)-1-piperazinyl]-2-oxo-6-phenyl-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate Traditional Name: 4-[4-(2-fluoro-4-nitro-phenyl)piperazino]-2-keto-6-phenyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C24H24FN3O5 MolecularWeight: 453.462863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CC(=CC1=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])F)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1C(CC(=CC1=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])F)C4=CC=CC=C4

InChI

InChI=1S/C24H24FN3O5/c1-33-24(30)23-19(16-5-3-2-4-6-16)13-18(15-22(23)29)26-9-11-27(12-10-26)21-8-7-17(28(31)32)14-20(21)25/h2-8,14-15,19,23H,9-13H2,1H3