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

Systemtic Name: (3S,4R)-3-chloranyl-2,2-dimethyl-4-(2-oxidanylidenepyridin-1-yl)-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4R)-3-chloro-2,2-dimethyl-4-(2-oxo-1-pyridyl)chromane-6-carbonitrile CAS Name: (3S,4R)-3-chloro-2,2-dimethyl-4-(2-oxo-1-pyridinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-3-chloro-2,2-dimethyl-4-(2-oxopyridin-1-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4R)-3-chloro-4-(2-keto-1-pyridyl)-2,2-dimethyl-chroman-6-carbonitrile Formula: C17H15ClN2O2 MolecularWeight: 314.7662

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=CC=CC3=O)Cl)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3C=CC=CC3=O)Cl)C

InChI

InChI=1S/C17H15ClN2O2/c1-17(2)16(18)15(20-8-4-3-5-14(20)21)12-9-11(10-19)6-7-13(12)22-17/h3-9,15-16H,1-2H3/t15-,16+/m1/s1