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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-triazol-4-imine CAS Name: N-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-4-triazolimine IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitrotriazol-4-imine Traditional Name: (4-bromo-3-methyl-phenyl)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-triazol-4-ylidene]amine Formula: C17H14BrN5O5 MolecularWeight: 448.22756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-])Br

InChI

InChI=1S/C17H14BrN5O5/c1-10-8-11(2-4-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-3-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,24H,6-7H2,1H3