azane; 2-hexyl-3-nitro-4,5-bis(oxidanyl)benzamide; hydrobromide

Systemtic Name: azane; 2-hexyl-3-nitro-4,5-bis(oxidanyl)benzamide; hydrobromide Openeye Name: ammonia; 2-hexyl-4,5-dihydroxy-3-nitro-benzamide; hydrobromide CAS Name: ammonia; 2-hexyl-4,5-dihydroxy-3-nitrobenzamide; hydrobromide IUPAC Name: azane; 2-hexyl-4,5-dihydroxy-3-nitrobenzamide; hydrobromide Traditional Name: ammonia; 2-hexyl-4,5-dihydroxy-3-nitro-benzamide; hydrobromide Formula: C13H22BrN3O5 MolecularWeight: 380.23488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C=C1C(=O)N)O)O)[N+](=O)[O-].N.Br

Isomeric SMILES

CCCCCCC1=C(C(=C(C=C1C(=O)N)O)O)[N+](=O)[O-].N.Br

InChI

InChI=1S/C13H18N2O5.BrH.H3N/c1-2-3-4-5-6-8-9(13(14)18)7-10(16)12(17)11(8)15(19)20;;/h7,16-17H,2-6H2,1H3,(H2,14,18);1H;1H3