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

Systemtic Name: N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-triazol-4-imine CAS Name: N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-4-triazolimine IUPAC Name: N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitrotriazol-4-imine Traditional Name: (4-chlorophenyl)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-triazol-4-ylidene]amine Formula: C16H12ClN5O5 MolecularWeight: 389.74998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN5O5/c17-10-1-3-11(4-2-10)18-15-16(22(24)25)19-20(21(15)23)12-5-6-13-14(9-12)27-8-7-26-13/h1-6,9,23H,7-8H2