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

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: N-(3-bromo-4-methyl-phenyl)-3-hydroxy-2-(4-methoxyphenyl)-5-nitro-triazol-4-imine CAS Name: N-(3-bromo-4-methylphenyl)-3-hydroxy-2-(4-methoxyphenyl)-5-nitro-4-triazolimine IUPAC Name: N-(3-bromo-4-methylphenyl)-3-hydroxy-2-(4-methoxyphenyl)-5-nitrotriazol-4-imine Traditional Name: (3-bromo-4-methyl-phenyl)-[3-hydroxy-2-(4-methoxyphenyl)-5-nitro-triazol-4-ylidene]amine Formula: C16H14BrN5O4 MolecularWeight: 420.21746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C2C(=NN(N2O)C3=CC=C(C=C3)OC)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=C(C=C1)N=C2C(=NN(N2O)C3=CC=C(C=C3)OC)[N+](=O)[O-])Br

InChI

InChI=1S/C16H14BrN5O4/c1-10-3-4-11(9-14(10)17)18-15-16(22(24)25)19-20(21(15)23)12-5-7-13(26-2)8-6-12/h3-9,23H,1-2H3