2-[5-cyano-2-(4-methoxyphenyl)-6-oxidanylidene-cyclohexen-1-yl]ethanoic acid

Systemtic Name: 2-[5-cyano-2-(4-methoxyphenyl)-6-oxidanylidene-cyclohexen-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-2-(4-methoxyphenyl)-6-oxo-cyclohexen-1-yl]acetic acid CAS Name: 2-[5-cyano-2-(4-methoxyphenyl)-6-oxo-1-cyclohexenyl]acetic acid IUPAC Name: 2-[5-cyano-2-(4-methoxyphenyl)-6-oxocyclohexen-1-yl]acetic acid Traditional Name: 2-[5-cyano-6-keto-2-(4-methoxyphenyl)cyclohexen-1-yl]acetic acid Formula: C16H15NO4 MolecularWeight: 285.2946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)C(CC2)C#N)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)C(CC2)C#N)CC(=O)O

InChI

InChI=1S/C16H15NO4/c1-21-12-5-2-10(3-6-12)13-7-4-11(9-17)16(20)14(13)8-15(18)19/h2-3,5-6,11H,4,7-8H2,1H3,(H,18,19)