methyl-N-[(6-nitro-3,4-dihydro-2H-chromen-2-yl)methyl]-N-(2-oxidanyl-2-pyridin-3-yl-ethyl)boronamidic acid

Systemtic Name: methyl-N-[(6-nitro-3,4-dihydro-2H-chromen-2-yl)methyl]-N-(2-oxidanyl-2-pyridin-3-yl-ethyl)boronamidic acid Openeye Name: N-[2-hydroxy-2-(3-pyridyl)ethyl]-methyl-N-[(6-nitrochroman-2-yl)methyl]boronamidic acid CAS Name: N-[2-hydroxy-2-(3-pyridinyl)ethyl]-methyl-N-[(6-nitro-3,4-dihydro-2H-1-benzopyran-2-yl)methyl]boronamidic acid IUPAC Name: N-(2-hydroxy-2-pyridin-3-ylethyl)-methyl-N-[(6-nitro-3,4-dihydro-2H-chromen-2-yl)methyl]boronamidic acid Traditional Name: N-[2-hydroxy-2-(3-pyridyl)ethyl]-methyl-N-[(6-nitrochroman-2-yl)methyl]boronamidic acid Formula: C18H22BN3O5 MolecularWeight: 371.19538

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N(CC1CCC2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(C3=CN=CC=C3)O)O

Isomeric SMILES

B(C)(N(CC1CCC2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(C3=CN=CC=C3)O)O

InChI

InChI=1S/C18H22BN3O5/c1-19(24)21(12-17(23)14-3-2-8-20-10-14)11-16-6-4-13-9-15(22(25)26)5-7-18(13)27-16/h2-3,5,7-10,16-17,23-24H,4,6,11-12H2,1H3