4-[1,3-benzodioxol-5-yl-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[1,3-benzodioxol-5-yl-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[1,3-benzodioxol-5-yl-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[1,3-benzodioxol-5-yl-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[1,3-benzodioxol-5-yl-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[1,3-benzodioxol-5-yl-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC3=C(C=C2)OCO3)C4=C(NNC4=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC3=C(C=C2)OCO3)C4=C(NNC4=O)C

InChI

InChI=1S/C16H16N4O4/c1-7-12(15(21)19-17-7)14(13-8(2)18-20-16(13)22)9-3-4-10-11(5-9)24-6-23-10/h3-5,14H,6H2,1-2H3,(H2,17,19,21)(H2,18,20,22)