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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-(4-methoxyphenyl)-5-nitro-triazol-4-imine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-(4-methoxyphenyl)-5-nitro-4-triazolimine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-(4-methoxyphenyl)-5-nitrotriazol-4-imine Traditional Name: [3-hydroxy-2-(4-methoxyphenyl)-5-nitro-triazol-4-ylidene]-piperonyl-amine Formula: C17H15N5O6 MolecularWeight: 385.3309

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C(C(=NCC3=CC4=C(C=C3)OCO4)N2O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C(C(=NCC3=CC4=C(C=C3)OCO4)N2O)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O6/c1-26-13-5-3-12(4-6-13)20-19-17(22(24)25)16(21(20)23)18-9-11-2-7-14-15(8-11)28-10-27-14/h2-8,23H,9-10H2,1H3