2-(azepan-1-ium-1-yl)-N-(5-nitro-2-oxidanyl-phenyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(5-nitro-2-oxidanyl-phenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(2-hydroxy-5-nitro-phenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(2-hydroxy-5-nitrophenyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2-hydroxy-5-nitrophenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(2-hydroxy-5-nitro-phenyl)acetamide Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H19N3O4/c18-13-6-5-11(17(20)21)9-12(13)15-14(19)10-16-7-3-1-2-4-8-16/h5-6,9,18H,1-4,7-8,10H2,(H,15,19)/p+1