2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxyphenyl)methyl]-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxyphenyl)methyl]-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-N-[(2-methoxyphenyl)methyl]-5-nitro-triazol-4-imine CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-N-[(2-methoxyphenyl)methyl]-5-nitro-4-triazolimine IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-N-[(2-methoxyphenyl)methyl]-5-nitrotriazol-4-imine Traditional Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-triazol-4-ylidene]-o-anisyl-amine Formula: C18H17N5O6 MolecularWeight: 399.35748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1CN=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O6/c1-27-14-5-3-2-4-12(14)11-19-17-18(23(25)26)20-21(22(17)24)13-6-7-15-16(10-13)29-9-8-28-15/h2-7,10,24H,8-9,11H2,1H3