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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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