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

Systemtic Name: ethyl 6-(3-nitrophenyl)-2-oxidanylidene-4-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 6-(3-nitrophenyl)-2-oxo-4-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: 6-(3-nitrophenyl)-2-oxo-4-phenyl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-nitrophenyl)-2-oxo-4-phenylcyclohex-3-ene-1-carboxylate Traditional Name: 2-keto-6-(3-nitrophenyl)-4-phenyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO5/c1-2-27-21(24)20-18(15-9-6-10-17(11-15)22(25)26)12-16(13-19(20)23)14-7-4-3-5-8-14/h3-11,13,18,20H,2,12H2,1H3