(2S)-N-(3-nitrophenyl)-2-(3-oxidanylidenepiperazin-1-yl)propanamide

Systemtic Name: (2S)-N-(3-nitrophenyl)-2-(3-oxidanylidenepiperazin-1-yl)propanamide Openeye Name: (2S)-N-(3-nitrophenyl)-2-(3-oxopiperazin-1-yl)propanamide CAS Name: (2S)-N-(3-nitrophenyl)-2-(3-oxo-1-piperazinyl)propanamide IUPAC Name: (2S)-N-(3-nitrophenyl)-2-(3-oxopiperazin-1-yl)propanamide Traditional Name: (2S)-2-(3-ketopiperazino)-N-(3-nitrophenyl)propionamide Formula: C13H16N4O4 MolecularWeight: 292.29054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N2CCNC(=O)C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N2CCNC(=O)C2

InChI

InChI=1S/C13H16N4O4/c1-9(16-6-5-14-12(18)8-16)13(19)15-10-3-2-4-11(7-10)17(20)21/h2-4,7,9H,5-6,8H2,1H3,(H,14,18)(H,15,19)/t9-/m0/s1