4-(3-oxidanylidenepiperazin-1-yl)benzoic acid

Systemtic Name: 4-(3-oxidanylidenepiperazin-1-yl)benzoic acid Openeye Name: 4-(3-oxopiperazin-1-yl)benzoic acid CAS Name: 4-(3-oxo-1-piperazinyl)benzoic acid IUPAC Name: 4-(3-oxopiperazin-1-yl)benzoic acid Traditional Name: 4-(3-ketopiperazino)benzoic acid Formula: C11H12N2O3 MolecularWeight: 220.22458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O3/c14-10-7-13(6-5-12-10)9-3-1-8(2-4-9)11(15)16/h1-4H,5-7H2,(H,12,14)(H,15,16)