ethynyl 4-imidazol-1-yl-5-methyl-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: ethynyl 4-imidazol-1-yl-5-methyl-cyclohexa-1,3-diene-1-carboxylate Openeye Name: ethynyl 4-imidazol-1-yl-5-methyl-cyclohexa-1,3-diene-1-carboxylate CAS Name: 4-(1-imidazolyl)-5-methyl-1-cyclohexa-1,3-dienecarboxylic acid ethynyl ester IUPAC Name: ethynyl 4-imidazol-1-yl-5-methylcyclohexa-1,3-diene-1-carboxylate Traditional Name: 4-imidazol-1-yl-5-methyl-cyclohexa-1,3-diene-1-carboxylic acid ethynyl ester Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC=C1N2C=CN=C2)C(=O)OC#C

Isomeric SMILES

CC1CC(=CC=C1N2C=CN=C2)C(=O)OC#C

InChI

InChI=1S/C13H12N2O2/c1-3-17-13(16)11-4-5-12(10(2)8-11)15-7-6-14-9-15/h1,4-7,9-10H,8H2,2H3