5-methyl-4-phenacyl-1H-pyrazole-3-carboxylic acid

Systemtic Name: 5-methyl-4-phenacyl-1H-pyrazole-3-carboxylic acid Openeye Name: 5-methyl-4-phenacyl-1H-pyrazole-3-carboxylic acid CAS Name: 5-methyl-4-phenacyl-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-methyl-4-phenacyl-1H-pyrazole-3-carboxylic acid Traditional Name: 5-methyl-4-phenacyl-1H-pyrazole-3-carboxylic acid Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C(=O)O)CC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1)C(=O)O)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H12N2O3/c1-8-10(12(13(17)18)15-14-8)7-11(16)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)(H,17,18)