4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzoate

Systemtic Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzoate Openeye Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzoate CAS Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzoate IUPAC Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzoate Traditional Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzoate Formula: C13H13N2O2- MolecularWeight: 229.25452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C)CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H14N2O2/c1-8-12(9(2)15-14-8)7-10-3-5-11(6-4-10)13(16)17/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17)/p-1