2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxidanyl-N-phenyl-1,2,3-triazol-4-imine

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxidanyl-N-phenyl-1,2,3-triazol-4-imine Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-N-phenyl-triazol-4-imine CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-N-phenyl-4-triazolimine IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-N-phenyltriazol-4-imine Traditional Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-triazol-4-ylidene]-phenyl-amine Formula: C16H13N5O5 MolecularWeight: 355.30492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3N=C(C(=NC4=CC=CC=C4)N3O)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3N=C(C(=NC4=CC=CC=C4)N3O)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O5/c22-20-15(17-11-4-2-1-3-5-11)16(21(23)24)18-19(20)12-6-7-13-14(10-12)26-9-8-25-13/h1-7,10,22H,8-9H2