2-(4-methoxyphenyl)-5-nitro-3-oxidanyl-N-phenethyl-1,2,3-triazol-4-imine

Systemtic Name: 2-(4-methoxyphenyl)-5-nitro-3-oxidanyl-N-phenethyl-1,2,3-triazol-4-imine Openeye Name: 3-hydroxy-2-(4-methoxyphenyl)-5-nitro-N-phenethyl-triazol-4-imine CAS Name: 3-hydroxy-2-(4-methoxyphenyl)-5-nitro-N-phenethyl-4-triazolimine IUPAC Name: 3-hydroxy-2-(4-methoxyphenyl)-5-nitro-N-phenethyltriazol-4-imine Traditional Name: [3-hydroxy-2-(4-methoxyphenyl)-5-nitro-triazol-4-ylidene]-phenethyl-amine Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O4/c1-26-15-9-7-14(8-10-15)20-19-17(22(24)25)16(21(20)23)18-12-11-13-5-3-2-4-6-13/h2-10,23H,11-12H2,1H3