N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-iodanyl-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-iodanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-4-iodo-1-methyl-pyrazole-3-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-iodo-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide Traditional Name: 4-iodo-1-methyl-N-[(E)-piperonylideneamino]pyrazole-3-carboxamide Formula: C13H11IN4O3 MolecularWeight: 398.15591

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NN=CC2=CC3=C(C=C2)OCO3)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N/N=C/C2=CC3=C(C=C2)OCO3)I

InChI

InChI=1S/C13H11IN4O3/c1-18-6-9(14)12(17-18)13(19)16-15-5-8-2-3-10-11(4-8)21-7-20-10/h2-6H,7H2,1H3,(H,16,19)/b15-5+