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

Systemtic Name: ethyl 4-(3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-(3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-(3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 2-keto-4-(3-methoxyphenyl)-6-(4-nitrophenyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6/c1-3-29-22(25)21-19(14-7-9-17(10-8-14)23(26)27)12-16(13-20(21)24)15-5-4-6-18(11-15)28-2/h4-11,13,19,21H,3,12H2,1-2H3