N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-iodanyl-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-iodanyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-4-iodo-2-methyl-pyrazole-3-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-iodo-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-iodo-2-methylpyrazole-3-carboxamide Traditional Name: 4-iodo-2-methyl-N-[(E)-piperonylideneamino]pyrazole-3-carboxamide Formula: C13H11IN4O3 MolecularWeight: 398.15591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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