methyl 4-methanoyl-1-(phenylmethyl)pyrazole-3-carboxylate

Systemtic Name: methyl 4-methanoyl-1-(phenylmethyl)pyrazole-3-carboxylate Openeye Name: methyl 1-benzyl-4-formyl-pyrazole-3-carboxylate CAS Name: 4-formyl-1-(phenylmethyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4-formylpyrazole-3-carboxylate Traditional Name: 1-benzyl-4-formyl-pyrazole-3-carboxylic acid methyl ester Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1C=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=NN(C=C1C=O)CC2=CC=CC=C2

InChI

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