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

Systemtic Name: 2-(4-methoxyphenyl)-N-(2-methyl-4-nitro-phenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: 3-hydroxy-2-(4-methoxyphenyl)-N-(2-methyl-4-nitro-phenyl)-5-nitro-triazol-4-imine CAS Name: 3-hydroxy-2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)-5-nitro-4-triazolimine IUPAC Name: 3-hydroxy-2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)-5-nitrotriazol-4-imine Traditional Name: [3-hydroxy-2-(4-methoxyphenyl)-5-nitro-triazol-4-ylidene]-(2-methyl-4-nitro-phenyl)amine Formula: C16H14N6O6 MolecularWeight: 386.31896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O6/c1-10-9-12(21(24)25)5-8-14(10)17-15-16(22(26)27)18-19(20(15)23)11-3-6-13(28-2)7-4-11/h3-9,23H,1-2H3