5-(7-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)pentylboronic acid

Systemtic Name: 5-(7-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)pentylboronic acid Openeye Name: 5-(7-nitro-3-oxo-1,4-benzoxazin-4-yl)pentylboronic acid CAS Name: 5-(7-nitro-3-oxo-1,4-benzoxazin-4-yl)pentylboronic acid IUPAC Name: 5-(7-nitro-3-oxo-1,4-benzoxazin-4-yl)pentylboronic acid Traditional Name: 5-(3-keto-7-nitro-1,4-benzoxazin-4-yl)pentylboronic acid Formula: C13H17BN2O6 MolecularWeight: 308.09488

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Descriptors Computed from Structure

Canonical SMILES:

B(CCCCCN1C(=O)COC2=C1C=CC(=C2)[N+](=O)[O-])(O)O

Isomeric SMILES

B(CCCCCN1C(=O)COC2=C1C=CC(=C2)[N+](=O)[O-])(O)O

InChI

InChI=1S/C13H17BN2O6/c17-13-9-22-12-8-10(16(20)21)4-5-11(12)15(13)7-3-1-2-6-14(18)19/h4-5,8,18-19H,1-3,6-7,9H2