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

Systemtic Name: 2-azanyl-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid Openeye Name: 2-amino-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid CAS Name: 2-amino-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid IUPAC Name: 2-amino-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid Traditional Name: 2-amino-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid Formula: C13H17BN2O6 MolecularWeight: 308.09488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BN2O6/c1-12(2)13(3,4)22-14(21-12)7-5-8(11(17)18)10(15)9(6-7)16(19)20/h5-6H,15H2,1-4H3,(H,17,18)