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

Systemtic Name: [1-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-2-oxidanylidene-pyridin-3-yl] ethanoate Openeye Name: [1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-2-oxo-3-pyridyl] acetate CAS Name: acetic acid [1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-2-oxo-3-pyridinyl] ester IUPAC Name: [1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-oxopyridin-3-yl] acetate Traditional Name: acetic acid [1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-2-keto-3-pyridyl] ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CN(C1=O)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O

Isomeric SMILES

CC(=O)OC1=CC=CN(C1=O)[C@H]2[C@@H](C(OC3=C2C=C(C=C3)C#N)(C)C)O

InChI

InChI=1S/C19H18N2O5/c1-11(22)25-15-5-4-8-21(18(15)24)16-13-9-12(10-20)6-7-14(13)26-19(2,3)17(16)23/h4-9,16-17,23H,1-3H3/t16-,17+/m1/s1