[6-nitro-1-(2-nitrooxyethyl)-3-oxidanylidene-2-benzofuran-1-yl]boronic acid

Systemtic Name: [6-nitro-1-(2-nitrooxyethyl)-3-oxidanylidene-2-benzofuran-1-yl]boronic acid Openeye Name: [6-nitro-1-(2-nitrooxyethyl)-3-oxo-isobenzofuran-1-yl]boronic acid CAS Name: [6-nitro-1-(2-nitrooxyethyl)-3-oxo-1-isobenzofuranyl]boronic acid IUPAC Name: [6-nitro-1-(2-nitrooxyethyl)-3-oxo-2-benzofuran-1-yl]boronic acid Traditional Name: [3-keto-6-nitro-1-(2-nitrooxyethyl)phthalan-1-yl]boronic acid Formula: C10H9BN2O9 MolecularWeight: 311.99746

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Descriptors Computed from Structure

Canonical SMILES:

B(C1(C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O1)CCO[N+](=O)[O-])(O)O

Isomeric SMILES

B(C1(C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O1)CCO[N+](=O)[O-])(O)O

InChI

InChI=1S/C10H9BN2O9/c14-9-7-2-1-6(12(17)18)5-8(7)10(22-9,11(15)16)3-4-21-13(19)20/h1-2,5,15-16H,3-4H2