ethyl 5-(3-methylbutanoyl)-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(3-methylbutanoyl)-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-(3-methylbutanoyl)-1H-pyrazole-4-carboxylate CAS Name: 5-(3-methyl-1-oxobutyl)-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-methylbutanoyl)-1H-pyrazole-4-carboxylate Traditional Name: 5-isovaleryl-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C11H16N2O3 MolecularWeight: 224.25634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)C(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)C(=O)CC(C)C

InChI

InChI=1S/C11H16N2O3/c1-4-16-11(15)8-6-12-13-10(8)9(14)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,12,13)