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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-2-(m-tolyl)-5-nitro-triazol-4-imine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-2-(3-methylphenyl)-5-nitro-4-triazolimine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-2-(3-methylphenyl)-5-nitrotriazol-4-imine Traditional Name: homoveratryl-[3-hydroxy-2-(m-tolyl)-5-nitro-triazol-4-ylidene]amine Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2N=C(C(=NCCC3=CC(=C(C=C3)OC)OC)N2O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2N=C(C(=NCCC3=CC(=C(C=C3)OC)OC)N2O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O5/c1-13-5-4-6-15(11-13)22-21-19(24(26)27)18(23(22)25)20-10-9-14-7-8-16(28-2)17(12-14)29-3/h4-8,11-12,25H,9-10H2,1-3H3