N-(3-nitrophenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-nitrophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-nitrophenyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-nitrophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)-N-(3-nitrophenyl)acetamide Formula: C12H15N4O4+ MolecularWeight: 279.2719

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O4/c17-11-7-15(5-4-13-11)8-12(18)14-9-2-1-3-10(6-9)16(19)20/h1-3,6H,4-5,7-8H2,(H,13,17)(H,14,18)/p+1