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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxidanyl-N-phenethyl-1,2,3-triazol-4-imine Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-N-phenethyl-triazol-4-imine CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-N-phenethyl-4-triazolimine IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-N-phenethyltriazol-4-imine Traditional Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-triazol-4-ylidene]-phenethyl-amine Formula: C18H17N5O5 MolecularWeight: 383.35808

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3N=C(C(=NCCC4=CC=CC=C4)N3O)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3N=C(C(=NCCC4=CC=CC=C4)N3O)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O5/c24-22-17(19-9-8-13-4-2-1-3-5-13)18(23(25)26)20-21(22)14-6-7-15-16(12-14)28-11-10-27-15/h1-7,12,24H,8-11H2