N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-(3-nitrophenyl)methanimine iodide

Systemtic Name: N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-(3-nitrophenyl)methanimine iodide Openeye Name: N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-(3-nitrophenyl)methanimine iodide CAS Name: N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-(3-nitrophenyl)methanimine iodide IUPAC Name: N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-(3-nitrophenyl)methanimine iodide Traditional Name: (E)-(1-methyl-1,2,4-triazol-4-ium-4-yl)-(3-nitrobenzylidene)amine iodide Formula: C10H10IN5O2 MolecularWeight: 359.12317

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C=N1)N=CC2=CC(=CC=C2)[N+](=O)[O-].[I-]

Isomeric SMILES

CN1C=[N+](C=N1)/N=C/C2=CC(=CC=C2)[N+](=O)[O-].[I-]

InChI

InChI=1S/C10H10N5O2.HI/c1-13-8-14(7-12-13)11-6-9-3-2-4-10(5-9)15(16)17;/h2-8H,1H3;1H/q+1;/p-1/b11-6+;