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

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: N-(3,5-dimethoxyphenyl)-3-hydroxy-2-(4-methoxyphenyl)-5-nitro-triazol-4-imine CAS Name: N-(3,5-dimethoxyphenyl)-3-hydroxy-2-(4-methoxyphenyl)-5-nitro-4-triazolimine IUPAC Name: N-(3,5-dimethoxyphenyl)-3-hydroxy-2-(4-methoxyphenyl)-5-nitrotriazol-4-imine Traditional Name: (3,5-dimethoxyphenyl)-[3-hydroxy-2-(4-methoxyphenyl)-5-nitro-triazol-4-ylidene]amine Formula: C17H17N5O6 MolecularWeight: 387.34678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C(C(=NC3=CC(=CC(=C3)OC)OC)N2O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C(C(=NC3=CC(=CC(=C3)OC)OC)N2O)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O6/c1-26-13-6-4-12(5-7-13)20-19-17(22(24)25)16(21(20)23)18-11-8-14(27-2)10-15(9-11)28-3/h4-10,23H,1-3H3