[3-[[4-[[3-(dihydroxyboranyl)-5-nitro-phenyl]carbonylamino]phenyl]carbamoyl]-5-nitro-phenyl]boronic acid

Systemtic Name: [3-[[4-[[3-(dihydroxyboranyl)-5-nitro-phenyl]carbonylamino]phenyl]carbamoyl]-5-nitro-phenyl]boronic acid Openeye Name: [3-[[4-[(3-borono-5-nitro-benzoyl)amino]phenyl]carbamoyl]-5-nitro-phenyl]boronic acid CAS Name: [3-[[4-[[(3-borono-5-nitrophenyl)-oxomethyl]amino]anilino]-oxomethyl]-5-nitrophenyl]boronic acid IUPAC Name: [3-[[4-[(3-borono-5-nitrobenzoyl)amino]phenyl]carbamoyl]-5-nitrophenyl]boronic acid Traditional Name: [3-[[4-[(3-borono-5-nitro-benzoyl)amino]phenyl]carbamoyl]-5-nitro-phenyl]boronic acid Formula: C20H16B2N4O10 MolecularWeight: 493.98384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)B(O)O)[N+](=O)[O-])(O)O

Isomeric SMILES

B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)B(O)O)[N+](=O)[O-])(O)O

InChI

InChI=1S/C20H16B2N4O10/c27-19(11-5-13(21(29)30)9-17(7-11)25(33)34)23-15-1-2-16(4-3-15)24-20(28)12-6-14(22(31)32)10-18(8-12)26(35)36/h1-10,29-32H,(H,23,27)(H,24,28)