1-[2-(2-methylphenyl)-5-nitro-3-oxidanidyl-1,2,3-triazol-3-ium-4-yl]azepane

Systemtic Name: 1-[2-(2-methylphenyl)-5-nitro-3-oxidanidyl-1,2,3-triazol-3-ium-4-yl]azepane Openeye Name: 1-[5-nitro-2-(o-tolyl)-3-oxido-triazol-3-ium-4-yl]azepane CAS Name: 1-[2-(2-methylphenyl)-5-nitro-3-oxido-4-triazol-3-iumyl]azepane IUPAC Name: 1-[2-(2-methylphenyl)-5-nitro-3-oxidotriazol-3-ium-4-yl]azepane Traditional Name: 1-[5-nitro-2-(o-tolyl)-3-oxido-triazol-3-ium-4-yl]azepane Formula: C15H19N5O3 MolecularWeight: 317.34306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2N=C(C(=[N+]2[O-])N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2N=C(C(=[N+]2[O-])N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O3/c1-12-8-4-5-9-13(12)18-16-14(20(22)23)15(19(18)21)17-10-6-2-3-7-11-17/h4-5,8-9H,2-3,6-7,10-11H2,1H3