4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-3-pyrazolin-3-one Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C(=O)NN1)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C13H14N2O3/c1-8-10(13(16)15-14-8)6-9-2-3-11-12(7-9)18-5-4-17-11/h2-3,7H,4-6H2,1H3,(H2,14,15,16)