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

Systemtic Name: ethyl (1R,6S)-4-(4-chlorophenyl)-6-(4-nitrophenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1R,6S)-4-(4-chlorophenyl)-6-(4-nitrophenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-4-(4-chlorophenyl)-6-(4-nitrophenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,6S)-4-(4-chlorophenyl)-6-(4-nitrophenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-4-(4-chlorophenyl)-2-keto-6-(4-nitrophenyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO5/c1-2-28-21(25)20-18(14-5-9-17(10-6-14)23(26)27)11-15(12-19(20)24)13-3-7-16(22)8-4-13/h3-10,12,18,20H,2,11H2,1H3/t18-,20-/m1/s1