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

Systemtic Name: ethyl 4-[3-[(5E)-5-[(1-methylimidazol-2-yl)methylidene]-1-oxidanyl-4-oxidanylidene-cyclopent-2-en-1-yl]prop-1-ynyl]benzoate Openeye Name: ethyl 4-[3-[(5E)-1-hydroxy-5-[(1-methylimidazol-2-yl)methylene]-4-oxo-cyclopent-2-en-1-yl]prop-1-ynyl]benzoate CAS Name: 4-[3-[(5E)-1-hydroxy-5-[(1-methyl-2-imidazolyl)methylidene]-4-oxo-1-cyclopent-2-enyl]prop-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(5E)-1-hydroxy-5-[(1-methylimidazol-2-yl)methylidene]-4-oxocyclopent-2-en-1-yl]prop-1-ynyl]benzoate Traditional Name: 4-[3-[(5E)-1-hydroxy-4-keto-5-[(1-methylimidazol-2-yl)methylene]cyclopent-2-en-1-yl]prop-1-ynyl]benzoic acid ethyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CCC2(C=CC(=O)C2=CC3=NC=CN3C)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CCC\2(C=CC(=O)/C2=C/C3=NC=CN3C)O

InChI

InChI=1S/C22H20N2O4/c1-3-28-21(26)17-8-6-16(7-9-17)5-4-11-22(27)12-10-19(25)18(22)15-20-23-13-14-24(20)2/h6-10,12-15,27H,3,11H2,1-2H3/b18-15-