[[(E)-2-acetamido-3-[3-methyl-4-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-phenyl]prop-2-enoyl]amino]boron

Systemtic Name: [[(E)-2-acetamido-3-[3-methyl-4-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-phenyl]prop-2-enoyl]amino]boron Openeye Name: [[(E)-2-acetamido-3-[4-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)-3-methyl-phenyl]prop-2-enoyl]amino]boron CAS Name: [[(E)-2-acetamido-3-[4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxy-3-methylphenyl]-1-oxoprop-2-enyl]amino]boron IUPAC Name: [[(E)-2-acetamido-3-[4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxy-3-methylphenyl]prop-2-enoyl]amino]boron Traditional Name: [[(E)-2-acetamido-3-[4-(2-hydroxy-2-keto-1,1-dimethyl-ethoxy)-3-methyl-phenyl]acryloyl]amino]boron Formula: C16H19BN2O5 MolecularWeight: 330.14346

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Descriptors Computed from Structure

Canonical SMILES:

[B]NC(=O)C(=CC1=CC(=C(C=C1)OC(C)(C)C(=O)O)C)NC(=O)C

Isomeric SMILES

[B]NC(=O)/C(=C\C1=CC(=C(C=C1)OC(C)(C)C(=O)O)C)/NC(=O)C

InChI

InChI=1S/C16H19BN2O5/c1-9-7-11(8-12(14(21)19-17)18-10(2)20)5-6-13(9)24-16(3,4)15(22)23/h5-8H,1-4H3,(H,18,20)(H,19,21)(H,22,23)/b12-8+