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

Systemtic Name: ethyl 4-[4-(2-fluoranyl-4-nitro-phenyl)piperazin-1-yl]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-[4-(2-fluoro-4-nitro-phenyl)piperazin-1-yl]-6-methyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-[4-(2-fluoro-4-nitrophenyl)-1-piperazinyl]-6-methyl-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]-6-methyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-[4-(2-fluoro-4-nitro-phenyl)piperazino]-2-keto-6-methyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C20H24FN3O5 MolecularWeight: 405.420063

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O5/c1-3-29-20(26)19-13(2)10-15(12-18(19)25)22-6-8-23(9-7-22)17-5-4-14(24(27)28)11-16(17)21/h4-5,11-13,19H,3,6-10H2,1-2H3