(3S,4R)-2,2-dimethyl-3-oxidanyl-4-[(6-oxidanylidene-1H-pyridin-3-yl)oxy]-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S,4R)-2,2-dimethyl-3-oxidanyl-4-[(6-oxidanylidene-1H-pyridin-3-yl)oxy]-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-[(6-oxo-1H-pyridin-3-yl)oxy]chromane-6-carbonitrile CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-[(6-oxo-1H-pyridin-3-yl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-[(6-oxo-1H-pyridin-3-yl)oxy]-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4R)-3-hydroxy-4-[(6-keto-1H-pyridin-3-yl)oxy]-2,2-dimethyl-chroman-6-carbonitrile Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=CNC(=O)C=C3)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)OC3=CNC(=O)C=C3)O)C

InChI

InChI=1S/C17H16N2O4/c1-17(2)16(21)15(22-11-4-6-14(20)19-9-11)12-7-10(8-18)3-5-13(12)23-17/h3-7,9,15-16,21H,1-2H3,(H,19,20)/t15-,16+/m1/s1