[3-[(2-isocyanophenanthridin-5-ium-5-yl)methyl]-2-methanoyl-phenyl]boronic acid

Systemtic Name: [3-[(2-isocyanophenanthridin-5-ium-5-yl)methyl]-2-methanoyl-phenyl]boronic acid Openeye Name: [2-formyl-3-[(2-isocyanophenanthridin-5-ium-5-yl)methyl]phenyl]boronic acid CAS Name: [2-formyl-3-[(2-isocyano-5-phenanthridin-5-iumyl)methyl]phenyl]boronic acid IUPAC Name: [2-formyl-3-[(2-isocyanophenanthridin-5-ium-5-yl)methyl]phenyl]boronic acid Traditional Name: [2-formyl-3-[(2-isocyanophenanthridin-5-ium-5-yl)methyl]phenyl]boronic acid Formula: C22H16BN2O3+ MolecularWeight: 367.18504

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=C(C(=CC=C1)C[N+]2=CC3=CC=CC=C3C4=C2C=CC(=C4)[N+]#[C-])C=O)(O)O

Isomeric SMILES

B(C1=C(C(=CC=C1)C[N+]2=CC3=CC=CC=C3C4=C2C=CC(=C4)[N+]#[C-])C=O)(O)O

InChI

InChI=1S/C22H16BN2O3/c1-24-17-9-10-22-19(11-17)18-7-3-2-5-15(18)12-25(22)13-16-6-4-8-21(23(27)28)20(16)14-26/h2-12,14,27-28H,13H2/q+1