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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(3-methylphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-hydroxy-2-(m-tolyl)-5-nitro-triazol-4-imine CAS Name: N-(4-bromo-3-methylphenyl)-3-hydroxy-2-(3-methylphenyl)-5-nitro-4-triazolimine IUPAC Name: N-(4-bromo-3-methylphenyl)-3-hydroxy-2-(3-methylphenyl)-5-nitrotriazol-4-imine Traditional Name: (4-bromo-3-methyl-phenyl)-[3-hydroxy-2-(m-tolyl)-5-nitro-triazol-4-ylidene]amine Formula: C16H14BrN5O3 MolecularWeight: 404.21806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN5O3/c1-10-4-3-5-13(8-10)20-19-16(22(24)25)15(21(20)23)18-12-6-7-14(17)11(2)9-12/h3-9,23H,1-2H3