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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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