[3-(2-cyanoethylcarbamoyl)phenyl]boronic acid

Systemtic Name: [3-(2-cyanoethylcarbamoyl)phenyl]boronic acid Openeye Name: [3-(2-cyanoethylcarbamoyl)phenyl]boronic acid CAS Name: [3-[(2-cyanoethylamino)-oxomethyl]phenyl]boronic acid IUPAC Name: [3-(2-cyanoethylcarbamoyl)phenyl]boronic acid Traditional Name: [3-(2-cyanoethylcarbamoyl)phenyl]boronic acid Formula: C10H11BN2O3 MolecularWeight: 218.01694

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC=C1)C(=O)NCCC#N)(O)O

Isomeric SMILES

B(C1=CC(=CC=C1)C(=O)NCCC#N)(O)O

InChI

InChI=1S/C10H11BN2O3/c12-5-2-6-13-10(14)8-3-1-4-9(7-8)11(15)16/h1,3-4,7,15-16H,2,6H2,(H,13,14)