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

Systemtic Name: N-(3,5-dimethoxyphenyl)-5-nitro-3-oxidanyl-2-phenyl-1,2,3-triazol-4-imine Openeye Name: N-(3,5-dimethoxyphenyl)-3-hydroxy-5-nitro-2-phenyl-triazol-4-imine CAS Name: N-(3,5-dimethoxyphenyl)-3-hydroxy-5-nitro-2-phenyl-4-triazolimine IUPAC Name: N-(3,5-dimethoxyphenyl)-3-hydroxy-5-nitro-2-phenyltriazol-4-imine Traditional Name: (3,5-dimethoxyphenyl)-(3-hydroxy-5-nitro-2-phenyl-triazol-4-ylidene)amine Formula: C16H15N5O5 MolecularWeight: 357.3208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O5/c1-25-13-8-11(9-14(10-13)26-2)17-15-16(21(23)24)18-19(20(15)22)12-6-4-3-5-7-12/h3-10,22H,1-2H3