[2-(dimethylaminomethyl)-5-(prop-2-enoylamino)phenyl]boronic acid

Systemtic Name: [2-(dimethylaminomethyl)-5-(prop-2-enoylamino)phenyl]boronic acid Openeye Name: [2-(dimethylaminomethyl)-5-(prop-2-enoylamino)phenyl]boronic acid CAS Name: [2-(dimethylaminomethyl)-5-(1-oxoprop-2-enylamino)phenyl]boronic acid IUPAC Name: [2-(dimethylaminomethyl)-5-(prop-2-enoylamino)phenyl]boronic acid Traditional Name: [5-acrylamido-2-(dimethylaminomethyl)phenyl]boronic acid Formula: C12H17BN2O3 MolecularWeight: 248.08598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=C(C=CC(=C1)NC(=O)C=C)CN(C)C)(O)O

Isomeric SMILES

B(C1=C(C=CC(=C1)NC(=O)C=C)CN(C)C)(O)O

InChI

InChI=1S/C12H17BN2O3/c1-4-12(16)14-10-6-5-9(8-15(2)3)11(7-10)13(17)18/h4-7,17-18H,1,8H2,2-3H3,(H,14,16)