(2R)-N-(2-nitrophenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2-nitrophenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(2-nitrophenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(2-nitrophenyl)-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-(2-nitrophenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-2-(3-ketopiperazin-1-ium-1-yl)-N-(2-nitrophenyl)propionamide Formula: C13H17N4O4+ MolecularWeight: 293.29848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CCNC(=O)C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CCNC(=O)C2

InChI

InChI=1S/C13H16N4O4/c1-9(16-7-6-14-12(18)8-16)13(19)15-10-4-2-3-5-11(10)17(20)21/h2-5,9H,6-8H2,1H3,(H,14,18)(H,15,19)/p+1/t9-/m1/s1