5-iodanyl-1-methyl-N-[(E)-1-(5-methyl-3-nitro-pyrazol-1-yl)propan-2-ylideneamino]pyrazole-3-carboxamide

Systemtic Name: 5-iodanyl-1-methyl-N-[(E)-1-(5-methyl-3-nitro-pyrazol-1-yl)propan-2-ylideneamino]pyrazole-3-carboxamide Openeye Name: 5-iodo-1-methyl-N-[(E)-[1-methyl-2-(5-methyl-3-nitro-pyrazol-1-yl)ethylidene]amino]pyrazole-3-carboxamide CAS Name: 5-iodo-1-methyl-N-[(E)-1-(5-methyl-3-nitro-1-pyrazolyl)propan-2-ylideneamino]-3-pyrazolecarboxamide IUPAC Name: 5-iodo-1-methyl-N-[(E)-1-(5-methyl-3-nitropyrazol-1-yl)propan-2-ylideneamino]pyrazole-3-carboxamide Traditional Name: 5-iodo-1-methyl-N-[(E)-[1-methyl-2-(5-methyl-3-nitro-pyrazol-1-yl)ethylidene]amino]pyrazole-3-carboxamide Formula: C12H14IN7O3 MolecularWeight: 431.18913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=NNC(=O)C2=NN(C(=C2)I)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1C/C(=N/NC(=O)C2=NN(C(=C2)I)C)/C)[N+](=O)[O-]

InChI

InChI=1S/C12H14IN7O3/c1-7(6-19-8(2)4-11(17-19)20(22)23)14-15-12(21)9-5-10(13)18(3)16-9/h4-5H,6H2,1-3H3,(H,15,21)/b14-7+