3-(dihydroxyboranyl)-5-[(2,6-dimethoxyphenyl)carbonylamino]benzoic acid

Systemtic Name: 3-(dihydroxyboranyl)-5-[(2,6-dimethoxyphenyl)carbonylamino]benzoic acid Openeye Name: 3-borono-5-[(2,6-dimethoxybenzoyl)amino]benzoic acid CAS Name: 3-borono-5-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-borono-5-[(2,6-dimethoxybenzoyl)amino]benzoic acid Traditional Name: 3-borono-5-[(2,6-dimethoxybenzoyl)amino]benzoic acid Formula: C16H16BNO7 MolecularWeight: 345.11174

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC(=C1)NC(=O)C2=C(C=CC=C2OC)OC)C(=O)O)(O)O

Isomeric SMILES

B(C1=CC(=CC(=C1)NC(=O)C2=C(C=CC=C2OC)OC)C(=O)O)(O)O

InChI

InChI=1S/C16H16BNO7/c1-24-12-4-3-5-13(25-2)14(12)15(19)18-11-7-9(16(20)21)6-10(8-11)17(22)23/h3-8,22-23H,1-2H3,(H,18,19)(H,20,21)