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

Systemtic Name: N-cyclohexyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: N-cyclohexyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-triazol-4-imine CAS Name: N-cyclohexyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-4-triazolimine IUPAC Name: N-cyclohexyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitrotriazol-4-imine Traditional Name: cyclohexyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-triazol-4-ylidene]amine Formula: C16H19N5O5 MolecularWeight: 361.35256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O5/c22-20-15(17-11-4-2-1-3-5-11)16(21(23)24)18-19(20)12-6-7-13-14(10-12)26-9-8-25-13/h6-7,10-11,22H,1-5,8-9H2