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

Systemtic Name: 4-[(3-iodanyl-4,5-dimethoxy-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(3-iodo-4,5-dimethoxy-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(3-iodo-4,5-dimethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(3-iodo-4,5-dimethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(3-iodo-4,5-dimethoxy-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C17H19IN4O4 MolecularWeight: 470.26163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC(=C(C(=C2)I)OC)OC)C3=C(NNC3=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC(=C(C(=C2)I)OC)OC)C3=C(NNC3=O)C

InChI

InChI=1S/C17H19IN4O4/c1-7-12(16(23)21-19-7)14(13-8(2)20-22-17(13)24)9-5-10(18)15(26-4)11(6-9)25-3/h5-6,14H,1-4H3,(H2,19,21,23)(H2,20,22,24)