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

Systemtic Name: N-cycloheptyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: N-cycloheptyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-triazol-4-imine CAS Name: N-cycloheptyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-4-triazolimine IUPAC Name: N-cycloheptyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitrotriazol-4-imine Traditional Name: cycloheptyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-triazol-4-ylidene]amine Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O5/c23-21-16(18-12-5-3-1-2-4-6-12)17(22(24)25)19-20(21)13-7-8-14-15(11-13)27-10-9-26-14/h7-8,11-12,23H,1-6,9-10H2