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

Systemtic Name: ethyl (1S,6R)-4-(3,4-dimethoxyphenyl)-6-(3-nitrophenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6R)-4-(3,4-dimethoxyphenyl)-6-(3-nitrophenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-(3,4-dimethoxyphenyl)-6-(3-nitrophenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6R)-4-(3,4-dimethoxyphenyl)-6-(3-nitrophenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-4-(3,4-dimethoxyphenyl)-2-keto-6-(3-nitrophenyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C23H23NO7 MolecularWeight: 425.43122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO7/c1-4-31-23(26)22-18(15-6-5-7-17(10-15)24(27)28)11-16(12-19(22)25)14-8-9-20(29-2)21(13-14)30-3/h5-10,12-13,18,22H,4,11H2,1-3H3/t18-,22-/m0/s1