[3-nitro-5-[(3-nitrophenyl)methoxycarbonyl]phenyl]boronic acid

Systemtic Name: [3-nitro-5-[(3-nitrophenyl)methoxycarbonyl]phenyl]boronic acid Openeye Name: [3-nitro-5-[(3-nitrophenyl)methoxycarbonyl]phenyl]boronic acid CAS Name: [3-nitro-5-[(3-nitrophenyl)methoxy-oxomethyl]phenyl]boronic acid IUPAC Name: [3-nitro-5-[(3-nitrophenyl)methoxycarbonyl]phenyl]boronic acid Traditional Name: [3-nitro-5-(3-nitrobenzyl)oxycarbonyl-phenyl]boronic acid Formula: C14H11BN2O8 MolecularWeight: 346.05674

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])(O)O

Isomeric SMILES

B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])(O)O

InChI

InChI=1S/C14H11BN2O8/c18-14(25-8-9-2-1-3-12(4-9)16(21)22)10-5-11(15(19)20)7-13(6-10)17(23)24/h1-7,19-20H,8H2