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

Systemtic Name: 1-[2-(4-chlorophenyl)-5-nitro-3-oxidanidyl-1,2,3-triazol-3-ium-4-yl]azepane Openeye Name: 1-[2-(4-chlorophenyl)-5-nitro-3-oxido-triazol-3-ium-4-yl]azepane CAS Name: 1-[2-(4-chlorophenyl)-5-nitro-3-oxido-4-triazol-3-iumyl]azepane IUPAC Name: 1-[2-(4-chlorophenyl)-5-nitro-3-oxidotriazol-3-ium-4-yl]azepane Traditional Name: 1-[2-(4-chlorophenyl)-5-nitro-3-oxido-triazol-3-ium-4-yl]azepane Formula: C14H16ClN5O3 MolecularWeight: 337.76154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=[N+](N(N=C2[N+](=O)[O-])C3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=[N+](N(N=C2[N+](=O)[O-])C3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C14H16ClN5O3/c15-11-5-7-12(8-6-11)18-16-13(20(22)23)14(19(18)21)17-9-3-1-2-4-10-17/h5-8H,1-4,9-10H2