methyl 4-[(E)-[2-oxidanyl-5-oxidanylidene-2-(3-pyridin-3-ylprop-2-ynyl)cyclopent-3-en-1-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[2-oxidanyl-5-oxidanylidene-2-(3-pyridin-3-ylprop-2-ynyl)cyclopent-3-en-1-ylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[2-hydroxy-5-oxo-2-[3-(3-pyridyl)prop-2-ynyl]cyclopent-3-en-1-ylidene]methyl]benzoate CAS Name: 4-[(E)-[2-hydroxy-5-oxo-2-[3-(3-pyridinyl)prop-2-ynyl]-1-cyclopent-3-enylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[2-hydroxy-5-oxo-2-(3-pyridin-3-ylprop-2-ynyl)cyclopent-3-en-1-ylidene]methyl]benzoate Traditional Name: 4-[(E)-[2-hydroxy-5-keto-2-[3-(3-pyridyl)prop-2-ynyl]cyclopent-3-en-1-ylidene]methyl]benzoic acid methyl ester Formula: C22H17NO4 MolecularWeight: 359.37468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)C=CC2(CC#CC3=CN=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)C=CC2(CC#CC3=CN=CC=C3)O

InChI

InChI=1S/C22H17NO4/c1-27-21(25)18-8-6-16(7-9-18)14-19-20(24)10-12-22(19,26)11-2-4-17-5-3-13-23-15-17/h3,5-10,12-15,26H,11H2,1H3/b19-14-