N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-iodanyl-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-iodanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-iodo-1-methyl-pyrazole-3-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-iodo-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-iodo-1-methylpyrazole-3-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-iodo-1-methyl-pyrazole-3-carboxamide Formula: C14H12IN3O4 MolecularWeight: 413.16725

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=NN(C=C3I)C)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=NN(C=C3I)C)OCO2

InChI

InChI=1S/C14H12IN3O4/c1-7(19)8-3-11-12(22-6-21-11)4-10(8)16-14(20)13-9(15)5-18(2)17-13/h3-5H,6H2,1-2H3,(H,16,20)