N-(5-chloranyl-2-nitro-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(5-chloranyl-2-nitro-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(5-chloro-2-nitro-phenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(5-chloro-2-nitrophenyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(5-chloro-2-nitrophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-chloro-2-nitro-phenyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C12H14ClN4O4+ MolecularWeight: 313.71696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN4O4/c13-8-1-2-10(17(20)21)9(5-8)15-12(19)7-16-4-3-14-11(18)6-16/h1-2,5H,3-4,6-7H2,(H,14,18)(H,15,19)/p+1