3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

Systemtic Name: 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid Openeye Name: 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid CAS Name: 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid IUPAC Name: 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid Traditional Name: 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid Formula: C13H16BNO6 MolecularWeight: 293.08024

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H16BNO6/c1-12(2)13(3,4)21-14(20-12)9-5-8(11(16)17)6-10(7-9)15(18)19/h5-7H,1-4H3,(H,16,17)