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

Systemtic Name: 5-iodanyl-N-[(E)-1-(5-methyl-3-nitro-pyrazol-1-yl)propan-2-ylideneamino]-2-oxidanyl-benzamide Openeye Name: 2-hydroxy-5-iodo-N-[(E)-[1-methyl-2-(5-methyl-3-nitro-pyrazol-1-yl)ethylidene]amino]benzamide CAS Name: 2-hydroxy-5-iodo-N-[(E)-1-(5-methyl-3-nitro-1-pyrazolyl)propan-2-ylideneamino]benzamide IUPAC Name: 2-hydroxy-5-iodo-N-[(E)-1-(5-methyl-3-nitropyrazol-1-yl)propan-2-ylideneamino]benzamide Traditional Name: 2-hydroxy-5-iodo-N-[(E)-[1-methyl-2-(5-methyl-3-nitro-pyrazol-1-yl)ethylidene]amino]benzamide Formula: C14H14IN5O4 MolecularWeight: 443.19653

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14IN5O4/c1-8(7-19-9(2)5-13(18-19)20(23)24)16-17-14(22)11-6-10(15)3-4-12(11)21/h3-6,21H,7H2,1-2H3,(H,17,22)/b16-8+