ethyl 4-(4-fluorophenyl)-6-(3-nitrophenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-6-(3-nitrophenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-6-(3-nitrophenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-(4-fluorophenyl)-6-(3-nitrophenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-6-(3-nitrophenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-keto-6-(3-nitrophenyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C21H18FNO5 MolecularWeight: 383.369723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)F)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)F)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18FNO5/c1-2-28-21(25)20-18(14-4-3-5-17(10-14)23(26)27)11-15(12-19(20)24)13-6-8-16(22)9-7-13/h3-10,12,18,20H,2,11H2,1H3