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

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-3-hydroxy-2-(4-methoxyphenyl)-5-nitro-triazol-4-imine CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-3-hydroxy-2-(4-methoxyphenyl)-5-nitro-4-triazolimine IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-3-hydroxy-2-(4-methoxyphenyl)-5-nitrotriazol-4-imine Traditional Name: (2,5-dimethoxybenzyl)-[3-hydroxy-2-(4-methoxyphenyl)-5-nitro-triazol-4-ylidene]amine Formula: C18H19N5O6 MolecularWeight: 401.37336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C(C(=NCC3=C(C=CC(=C3)OC)OC)N2O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C(C(=NCC3=C(C=CC(=C3)OC)OC)N2O)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O6/c1-27-14-6-4-13(5-7-14)21-20-18(23(25)26)17(22(21)24)19-11-12-10-15(28-2)8-9-16(12)29-3/h4-10,24H,11H2,1-3H3