3-[2-[(2S)-3-oxidanylidenepiperazin-2-yl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[(2S)-3-oxidanylidenepiperazin-2-yl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(2S)-3-oxopiperazin-2-yl]acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[(2S)-3-oxo-2-piperazinyl]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(2S)-3-oxopiperazin-2-yl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(2S)-3-ketopiperazin-2-yl]acetyl]amino]benzoic acid Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C(N1)CC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CNC(=O)[C@@H](N1)CC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H15N3O4/c17-11(7-10-12(18)15-5-4-14-10)16-9-3-1-2-8(6-9)13(19)20/h1-3,6,10,14H,4-5,7H2,(H,15,18)(H,16,17)(H,19,20)/t10-/m0/s1