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

Systemtic Name: ethyl (1S,6S)-4-(4-nitrophenyl)-2-oxidanylidene-6-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-4-(4-nitrophenyl)-2-oxo-6-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-4-(4-nitrophenyl)-2-oxo-6-phenyl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-4-(4-nitrophenyl)-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-2-keto-4-(4-nitrophenyl)-6-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=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](CC(=CC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H19NO5/c1-2-27-21(24)20-18(15-6-4-3-5-7-15)12-16(13-19(20)23)14-8-10-17(11-9-14)22(25)26/h3-11,13,18,20H,2,12H2,1H3/t18-,20+/m1/s1