methyl 2-methyl-4-(3-methyl-3-oxidanyl-but-1-ynyl)pyrazole-3-carboxylate

Systemtic Name: methyl 2-methyl-4-(3-methyl-3-oxidanyl-but-1-ynyl)pyrazole-3-carboxylate Openeye Name: methyl 4-(3-hydroxy-3-methyl-but-1-ynyl)-2-methyl-pyrazole-3-carboxylate CAS Name: 4-(3-hydroxy-3-methylbut-1-ynyl)-2-methyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-hydroxy-3-methylbut-1-ynyl)-2-methylpyrazole-3-carboxylate Traditional Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)-2-methyl-pyrazole-3-carboxylic acid methyl ester Formula: C11H14N2O3 MolecularWeight: 222.24046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=C(N(N=C1)C)C(=O)OC)O

Isomeric SMILES

CC(C)(C#CC1=C(N(N=C1)C)C(=O)OC)O

InChI

InChI=1S/C11H14N2O3/c1-11(2,15)6-5-8-7-12-13(3)9(8)10(14)16-4/h7,15H,1-4H3