3-[4-(oxidanylideneboranylmethyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-[4-(oxidanylideneboranylmethyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[4-(oxoboranylmethyl)piperazin-1-yl]benzoic acid CAS Name: 3-[4-(oxoboranylmethyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[4-(oxoboranylmethyl)piperazin-1-yl]benzoic acid Traditional Name: 3-[4-(ketoboranylmethyl)piperazino]benzoic acid Formula: C12H15BN2O3 MolecularWeight: 246.0701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(=O)CN1CCN(CC1)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

B(=O)CN1CCN(CC1)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H15BN2O3/c16-12(17)10-2-1-3-11(8-10)15-6-4-14(5-7-15)9-13-18/h1-3,8H,4-7,9H2,(H,16,17)