methyl 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylate CAS Name: 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid methyl ester Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NN1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=CC(=NN1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H10N2O4/c1-16-12(15)9-5-8(13-14-9)7-2-3-10-11(4-7)18-6-17-10/h2-5H,6H2,1H3,(H,13,14)