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

Systemtic Name: [(3S,4R)-6-cyano-2,2-dimethyl-4-(2-oxidanylidenepyridin-1-yl)-3,4-dihydrochromen-3-yl] methanoate Openeye Name: [(3S,4R)-6-cyano-2,2-dimethyl-4-(2-oxo-1-pyridyl)chroman-3-yl] formate CAS Name: formic 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] formate Traditional Name: formic acid [(3S,4R)-6-cyano-4-(2-keto-1-pyridyl)-2,2-dimethyl-chroman-3-yl] ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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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)OC=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4/c1-18(2)17(23-11-21)16(20-8-4-3-5-15(20)22)13-9-12(10-19)6-7-14(13)24-18/h3-9,11,16-17H,1-2H3/t16-,17+/m1/s1