3-[(R)-(2,2-dimethylpropanoylamino)-pyridin-3-yl-methyl]-4-oxidanylidene-pent-2-en-2-olate

Systemtic Name: 3-[(R)-(2,2-dimethylpropanoylamino)-pyridin-3-yl-methyl]-4-oxidanylidene-pent-2-en-2-olate Openeye Name: 3-[(R)-(2,2-dimethylpropanoylamino)-(3-pyridyl)methyl]-4-oxo-pent-2-en-2-olate CAS Name: 3-[(R)-[(2,2-dimethyl-1-oxopropyl)amino]-(3-pyridinyl)methyl]-4-oxo-2-penten-2-olate IUPAC Name: 3-[(R)-(2,2-dimethylpropanoylamino)-pyridin-3-ylmethyl]-4-oxopent-2-en-2-olate Traditional Name: 4-keto-3-[(R)-(pivaloylamino)-(3-pyridyl)methyl]pent-2-en-2-olate Formula: C16H21N2O3- MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(C1=CN=CC=C1)NC(=O)C(C)(C)C)C(=O)C)[O-]

Isomeric SMILES

CC(=C([C@@H](C1=CN=CC=C1)NC(=O)C(C)(C)C)C(=O)C)[O-]

InChI

InChI=1S/C16H22N2O3/c1-10(19)13(11(2)20)14(12-7-6-8-17-9-12)18-15(21)16(3,4)5/h6-9,14,19H,1-5H3,(H,18,21)/p-1/t14-/m1/s1