N-(4-iodanyl-2-methyl-phenyl)-2-(3-methylphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-2-(3-methylphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: 3-hydroxy-N-(4-iodo-2-methyl-phenyl)-2-(m-tolyl)-5-nitro-triazol-4-imine CAS Name: 3-hydroxy-N-(4-iodo-2-methylphenyl)-2-(3-methylphenyl)-5-nitro-4-triazolimine IUPAC Name: 3-hydroxy-N-(4-iodo-2-methylphenyl)-2-(3-methylphenyl)-5-nitrotriazol-4-imine Traditional Name: [3-hydroxy-2-(m-tolyl)-5-nitro-triazol-4-ylidene]-(4-iodo-2-methyl-phenyl)amine Formula: C16H14IN5O3 MolecularWeight: 451.21853

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2N=C(C(=NC3=C(C=C(C=C3)I)C)N2O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2N=C(C(=NC3=C(C=C(C=C3)I)C)N2O)[N+](=O)[O-]

InChI

InChI=1S/C16H14IN5O3/c1-10-4-3-5-13(8-10)20-19-16(22(24)25)15(21(20)23)18-14-7-6-12(17)9-11(14)2/h3-9,23H,1-2H3