1-(5-nitro-3-oxidanidyl-2-phenyl-1,2,3-triazol-3-ium-4-yl)azepane

Systemtic Name: 1-(5-nitro-3-oxidanidyl-2-phenyl-1,2,3-triazol-3-ium-4-yl)azepane Openeye Name: 1-(5-nitro-3-oxido-2-phenyl-triazol-3-ium-4-yl)azepane CAS Name: 1-(5-nitro-3-oxido-2-phenyl-4-triazol-3-iumyl)azepane IUPAC Name: 1-(5-nitro-3-oxido-2-phenyltriazol-3-ium-4-yl)azepane Traditional Name: 1-(5-nitro-3-oxido-2-phenyl-triazol-3-ium-4-yl)azepane Formula: C14H17N5O3 MolecularWeight: 303.31648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O3/c20-18-14(16-10-6-1-2-7-11-16)13(19(21)22)15-17(18)12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2