(3S)-2,2-dimethyl-3-oxidanyl-4-(4-oxidanylidenepyridin-1-yl)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S)-2,2-dimethyl-3-oxidanyl-4-(4-oxidanylidenepyridin-1-yl)-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S)-3-hydroxy-2,2-dimethyl-4-(4-oxo-1-pyridyl)chromane-6-carbonitrile CAS Name: (3S)-3-hydroxy-2,2-dimethyl-4-(4-oxo-1-pyridinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S)-3-hydroxy-2,2-dimethyl-4-(4-oxopyridin-1-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S)-3-hydroxy-4-(4-keto-1-pyridyl)-2,2-dimethyl-chroman-6-carbonitrile Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=CC(=O)C=C3)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C#N)N3C=CC(=O)C=C3)O)C

InChI

InChI=1S/C17H16N2O3/c1-17(2)16(21)15(19-7-5-12(20)6-8-19)13-9-11(10-18)3-4-14(13)22-17/h3-9,15-16,21H,1-2H3/t15?,16-/m0/s1