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

Systemtic Name: 2-iodanyl-N-[(E)-1-(5-methyl-3-nitro-pyrazol-1-yl)propan-2-ylideneamino]benzamide Openeye Name: 2-iodo-N-[(E)-[1-methyl-2-(5-methyl-3-nitro-pyrazol-1-yl)ethylidene]amino]benzamide CAS Name: 2-iodo-N-[(E)-1-(5-methyl-3-nitro-1-pyrazolyl)propan-2-ylideneamino]benzamide IUPAC Name: 2-iodo-N-[(E)-1-(5-methyl-3-nitropyrazol-1-yl)propan-2-ylideneamino]benzamide Traditional Name: 2-iodo-N-[(E)-[1-methyl-2-(5-methyl-3-nitro-pyrazol-1-yl)ethylidene]amino]benzamide Formula: C14H14IN5O3 MolecularWeight: 427.19713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=NNC(=O)C2=CC=CC=C2I)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1C/C(=N/NC(=O)C2=CC=CC=C2I)/C)[N+](=O)[O-]

InChI

InChI=1S/C14H14IN5O3/c1-9(8-19-10(2)7-13(18-19)20(22)23)16-17-14(21)11-5-3-4-6-12(11)15/h3-7H,8H2,1-2H3,(H,17,21)/b16-9+