[3-(2-chloranyl-6-nitro-phenoxy)carbonyl-5-nitro-phenyl]boronic acid

Systemtic Name: [3-(2-chloranyl-6-nitro-phenoxy)carbonyl-5-nitro-phenyl]boronic acid Openeye Name: [3-(2-chloro-6-nitro-phenoxy)carbonyl-5-nitro-phenyl]boronic acid CAS Name: [3-[(2-chloro-6-nitrophenoxy)-oxomethyl]-5-nitrophenyl]boronic acid IUPAC Name: [3-(2-chloro-6-nitrophenoxy)carbonyl-5-nitrophenyl]boronic acid Traditional Name: [3-(2-chloro-6-nitro-phenoxy)carbonyl-5-nitro-phenyl]boronic acid Formula: C13H8BClN2O8 MolecularWeight: 366.47522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=C(C=CC=C2Cl)[N+](=O)[O-])(O)O

Isomeric SMILES

B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=C(C=CC=C2Cl)[N+](=O)[O-])(O)O

InChI

InChI=1S/C13H8BClN2O8/c15-10-2-1-3-11(17(23)24)12(10)25-13(18)7-4-8(14(19)20)6-9(5-7)16(21)22/h1-6,19-20H