3-methyl-1-phenethyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-methyl-1-phenethyl-pyrazole-4-carboxylic acid Openeye Name: 3-methyl-1-phenethyl-pyrazole-4-carboxylic acid CAS Name: 3-methyl-1-phenethyl-4-pyrazolecarboxylic acid IUPAC Name: 3-methyl-1-phenethylpyrazole-4-carboxylic acid Traditional Name: 3-methyl-1-phenethyl-pyrazole-4-carboxylic acid Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)O)CCC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C=C1C(=O)O)CCC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O2/c1-10-12(13(16)17)9-15(14-10)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,17)