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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C([NH2+]1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CNC(=O)[C@@H]([NH2+]1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O4/c17-11(7-10-12(18)14-5-4-13-10)15-8-2-1-3-9(6-8)16(19)20/h1-3,6,10,13H,4-5,7H2,(H,14,18)(H,15,17)/p+1/t10-/m0/s1