3-[(4-methoxycarbonylpyrazol-1-yl)methyl]benzoate

Systemtic Name: 3-[(4-methoxycarbonylpyrazol-1-yl)methyl]benzoate Openeye Name: 3-[(4-methoxycarbonylpyrazol-1-yl)methyl]benzoate CAS Name: 3-[(4-methoxycarbonyl-1-pyrazolyl)methyl]benzoate IUPAC Name: 3-[(4-methoxycarbonylpyrazol-1-yl)methyl]benzoate Traditional Name: 3-[(4-carbomethoxypyrazol-1-yl)methyl]benzoate Formula: C13H11N2O4- MolecularWeight: 259.23744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=C1)CC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

COC(=O)C1=CN(N=C1)CC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H12N2O4/c1-19-13(18)11-6-14-15(8-11)7-9-3-2-4-10(5-9)12(16)17/h2-6,8H,7H2,1H3,(H,16,17)/p-1