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

Systemtic Name: ethyl 4-[4-(2-fluoranyl-4-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-6-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H26FN3O5 MolecularWeight: 467.489443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26FN3O5/c1-2-34-25(31)24-20(17-6-4-3-5-7-17)14-19(16-23(24)30)27-10-12-28(13-11-27)22-9-8-18(29(32)33)15-21(22)26/h3-9,15-16,20,24H,2,10-14H2,1H3