2-iodanyl-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide

Systemtic Name: 2-iodanyl-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide Openeye Name: 2-iodo-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]benzamide CAS Name: 2-iodo-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide IUPAC Name: 2-iodo-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide Traditional Name: 2-iodo-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]benzamide Formula: C12H11IN6O3 MolecularWeight: 414.15861

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CC=C1I)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=CC=C1I)/CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H11IN6O3/c1-8(6-18-7-14-12(17-18)19(21)22)15-16-11(20)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3,(H,16,20)/b15-8+