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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-5-nitro-triazol-4-imine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-5-nitro-4-triazolimine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-5-nitrotriazol-4-imine Traditional Name: homoveratryl-[3-hydroxy-2-(4-methoxyphenyl)-5-nitro-triazol-4-ylidene]amine Formula: C19H21N5O6 MolecularWeight: 415.39994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C(C(=NCCC3=CC(=C(C=C3)OC)OC)N2O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C(C(=NCCC3=CC(=C(C=C3)OC)OC)N2O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O6/c1-28-15-7-5-14(6-8-15)22-21-19(24(26)27)18(23(22)25)20-11-10-13-4-9-16(29-2)17(12-13)30-3/h4-9,12,25H,10-11H2,1-3H3