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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O5/c1-2-12-3-5-13(6-4-12)19-17-18(23(25)26)20-21(22(17)24)14-7-8-15-16(11-14)28-10-9-27-15/h3-8,11,24H,2,9-10H2,1H3