5-(1,3-benzodioxol-5-ylmethyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-1,2-dihydropyrazol-3-one Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-1,2-dihydropyrazol-3-one CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-1,2-dihydropyrazol-3-one IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-1,2-dihydropyrazol-3-one Traditional Name: 5-piperonyl-3-pyrazolin-3-one Formula: C11H10N2O3 MolecularWeight: 218.2087

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=CC(=O)NN3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=CC(=O)NN3

InChI

InChI=1S/C11H10N2O3/c14-11-5-8(12-13-11)3-7-1-2-9-10(4-7)16-6-15-9/h1-2,4-5H,3,6H2,(H2,12,13,14)