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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)C=CC2(CC#CC3=CC=CC=N3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)C=CC2(CC#CC3=CC=CC=N3)O

InChI

InChI=1S/C22H17NO4/c1-27-21(25)17-9-7-16(8-10-17)15-19-20(24)11-13-22(19,26)12-4-6-18-5-2-3-14-23-18/h2-3,5,7-11,13-15,26H,12H2,1H3/b19-15-