N-hexyl-7-nitro-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-imine

Systemtic Name: N-hexyl-7-nitro-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-imine Openeye Name: N-hexyl-4-hydroxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-imine CAS Name: N-hexyl-4-hydroxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-imine IUPAC Name: N-hexyl-4-hydroxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-imine Traditional Name: hexyl-(4-hydroxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amine Formula: C13H17N5O4 MolecularWeight: 307.30518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN=C1N=[N+](C2=C(N1O)C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCCCCN=C1N=[N+](C2=C(N1O)C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H17N5O4/c1-2-3-4-5-8-14-13-15-17(20)12-9-10(18(21)22)6-7-11(12)16(13)19/h6-7,9,19H,2-5,8H2,1H3