[(3S,4R)-6-cyano-2,2-dimethyl-4-(2-oxidanylidenepyridin-1-yl)-3,4-dihydrochromen-3-yl] ethanoate

Systemtic Name: [(3S,4R)-6-cyano-2,2-dimethyl-4-(2-oxidanylidenepyridin-1-yl)-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [(3S,4R)-6-cyano-2,2-dimethyl-4-(2-oxo-1-pyridyl)chroman-3-yl] acetate CAS Name: acetic acid [(3S,4R)-6-cyano-2,2-dimethyl-4-(2-oxo-1-pyridinyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(3S,4R)-6-cyano-2,2-dimethyl-4-(2-oxopyridin-1-yl)-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [(3S,4R)-6-cyano-4-(2-keto-1-pyridyl)-2,2-dimethyl-chroman-3-yl] ester Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)N3C=CC=CC3=O

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](C2=C(C=CC(=C2)C#N)OC1(C)C)N3C=CC=CC3=O

InChI

InChI=1S/C19H18N2O4/c1-12(22)24-18-17(21-9-5-4-6-16(21)23)14-10-13(11-20)7-8-15(14)25-19(18,2)3/h4-10,17-18H,1-3H3/t17-,18+/m1/s1