3-[2-(cyclopropylcarbonylamino)-2-(dihydroxyboranyl)ethyl]-2-oxidanyl-benzoic acid

Systemtic Name: 3-[2-(cyclopropylcarbonylamino)-2-(dihydroxyboranyl)ethyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[2-borono-2-(cyclopropanecarbonylamino)ethyl]-2-hydroxy-benzoic acid CAS Name: 3-[2-borono-2-[[cyclopropyl(oxo)methyl]amino]ethyl]-2-hydroxybenzoic acid IUPAC Name: 3-[2-borono-2-(cyclopropanecarbonylamino)ethyl]-2-hydroxybenzoic acid Traditional Name: 3-[2-borono-2-(cyclopropanecarbonylamino)ethyl]-2-hydroxy-benzoic acid Formula: C13H16BNO6 MolecularWeight: 293.08024

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)C2CC2)(O)O

Isomeric SMILES

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)C2CC2)(O)O

InChI

InChI=1S/C13H16BNO6/c16-11-8(2-1-3-9(11)13(18)19)6-10(14(20)21)15-12(17)7-4-5-7/h1-3,7,10,16,20-21H,4-6H2,(H,15,17)(H,18,19)