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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-3-oxidanyl-2-phenyl-1,2,3-triazol-4-imine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-5-nitro-2-phenyl-triazol-4-imine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-5-nitro-2-phenyl-4-triazolimine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-5-nitro-2-phenyltriazol-4-imine Traditional Name: homoveratryl-(3-hydroxy-5-nitro-2-phenyl-triazol-4-ylidene)amine Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN=C2C(=NN(N2O)C3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN=C2C(=NN(N2O)C3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H19N5O5/c1-27-15-9-8-13(12-16(15)28-2)10-11-19-17-18(23(25)26)20-21(22(17)24)14-6-4-3-5-7-14/h3-9,12,24H,10-11H2,1-2H3