[1-[(3-bromanyl-5-methyl-phenyl)amino]-4-oxidanyl-butan-2-yl]carbamoylboron

Systemtic Name: [1-[(3-bromanyl-5-methyl-phenyl)amino]-4-oxidanyl-butan-2-yl]carbamoylboron Openeye Name: [1-[(3-bromo-5-methyl-anilino)methyl]-3-hydroxy-propyl]carbamoylboron CAS Name: [[[1-(3-bromo-5-methylanilino)-4-hydroxybutan-2-yl]amino]-oxomethyl]boron IUPAC Name: [1-(3-bromo-5-methylanilino)-4-hydroxybutan-2-yl]carbamoylboron Traditional Name: [1-[(3-bromo-5-methyl-anilino)methyl]-3-hydroxy-propyl]carbamoylboron Formula: C12H16BBrN2O2 MolecularWeight: 310.98264

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NC(CCO)CNC1=CC(=CC(=C1)C)Br

Isomeric SMILES

[B]C(=O)NC(CCO)CNC1=CC(=CC(=C1)C)Br

InChI

InChI=1S/C12H16BBrN2O2/c1-8-4-9(14)6-11(5-8)15-7-10(2-3-17)16-12(13)18/h4-6,10,15,17H,2-3,7H2,1H3,(H,16,18)