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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O5/c1-12-2-4-13(5-3-12)11-19-17-18(23(25)26)20-21(22(17)24)14-6-7-15-16(10-14)28-9-8-27-15/h2-7,10,24H,8-9,11H2,1H3