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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,5-dimethoxyphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,5-dimethoxyphenyl)-3-hydroxy-5-nitro-triazol-4-imine CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,5-dimethoxyphenyl)-3-hydroxy-5-nitro-4-triazolimine IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,5-dimethoxyphenyl)-3-hydroxy-5-nitrotriazol-4-imine Traditional Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-triazol-4-ylidene]-(3,5-dimethoxyphenyl)amine Formula: C18H17N5O7 MolecularWeight: 415.35688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N5O7/c1-27-13-7-11(8-14(10-13)28-2)19-17-18(23(25)26)20-21(22(17)24)12-3-4-15-16(9-12)30-6-5-29-15/h3-4,7-10,24H,5-6H2,1-2H3