ethyl 4-[3-[(5E)-1-oxidanyl-4-oxidanylidene-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-yl]prop-1-ynyl]benzoate

Systemtic Name: ethyl 4-[3-[(5E)-1-oxidanyl-4-oxidanylidene-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-yl]prop-1-ynyl]benzoate Openeye Name: ethyl 4-[3-[(5E)-1-hydroxy-4-oxo-5-(2-pyridylmethylene)cyclopent-2-en-1-yl]prop-1-ynyl]benzoate CAS Name: 4-[3-[(5E)-1-hydroxy-4-oxo-5-(2-pyridinylmethylidene)-1-cyclopent-2-enyl]prop-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(5E)-1-hydroxy-4-oxo-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-yl]prop-1-ynyl]benzoate Traditional Name: 4-[3-[(5E)-1-hydroxy-4-keto-5-(2-pyridylmethylene)cyclopent-2-en-1-yl]prop-1-ynyl]benzoic acid ethyl ester Formula: C23H19NO4 MolecularWeight: 373.40126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CCC2(C=CC(=O)C2=CC3=CC=CC=N3)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CCC\2(C=CC(=O)/C2=C/C3=CC=CC=N3)O

InChI

InChI=1S/C23H19NO4/c1-2-28-22(26)18-10-8-17(9-11-18)6-5-13-23(27)14-12-21(25)20(23)16-19-7-3-4-15-24-19/h3-4,7-12,14-16,27H,2,13H2,1H3/b20-16-