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

Systemtic Name: (3S,4R)-2,2-dimethyl-4-(1-methyl-2-oxidanylidene-pyridin-4-yl)oxy-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-[(1-methyl-2-oxo-4-pyridyl)oxy]chromane-6-carbonitrile CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-[(1-methyl-2-oxo-4-pyridinyl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(1-methyl-2-oxopyridin-4-yl)oxy-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4R)-3-hydroxy-4-[(2-keto-1-methyl-4-pyridyl)oxy]-2,2-dimethyl-chroman-6-carbonitrile Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4/c1-18(2)17(22)16(23-12-6-7-20(3)15(21)9-12)13-8-11(10-19)4-5-14(13)24-18/h4-9,16-17,22H,1-3H3/t16-,17+/m1/s1