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

Systemtic Name: 2-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: 2-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-3-hydroxy-5-nitro-triazol-4-imine CAS Name: 2-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-3-hydroxy-5-nitro-4-triazolimine IUPAC Name: 2-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-3-hydroxy-5-nitrotriazol-4-imine Traditional Name: [2-(4-chlorophenyl)-3-hydroxy-5-nitro-triazol-4-ylidene]-(2,5-dimethoxybenzyl)amine Formula: C17H16ClN5O5 MolecularWeight: 405.79244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN5O5/c1-27-14-7-8-15(28-2)11(9-14)10-19-16-17(23(25)26)20-21(22(16)24)13-5-3-12(18)4-6-13/h3-9,24H,10H2,1-2H3