3-[2-(2-oxidanylidenepiperazin-1-yl)ethanoylamino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1)CC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CN(C(=O)CN1)CC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

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