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

Systemtic Name: 4-chloranyl-3-[2-(3-oxidanylidenepiperazin-1-yl)ethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-(3-oxopiperazin-1-yl)acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-(3-oxo-1-piperazinyl)ethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-(3-oxopiperazin-1-yl)acetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-(3-ketopiperazino)acetyl]amino]benzoic acid Formula: C13H14ClN3O4 MolecularWeight: 311.72096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

C1CN(CC(=O)N1)CC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C13H14ClN3O4/c14-9-2-1-8(13(20)21)5-10(9)16-12(19)7-17-4-3-15-11(18)6-17/h1-2,5H,3-4,6-7H2,(H,15,18)(H,16,19)(H,20,21)