[4-[4,5-bis(hydroxymethyl)-2-oxidanylidene-pyridin-1-yl]-6-cyano-2,2-dimethyl-3,4-dihydrochromen-3-yl] ethanoate

Systemtic Name: [4-[4,5-bis(hydroxymethyl)-2-oxidanylidene-pyridin-1-yl]-6-cyano-2,2-dimethyl-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [4-[4,5-bis(hydroxymethyl)-2-oxo-1-pyridyl]-6-cyano-2,2-dimethyl-chroman-3-yl] acetate CAS Name: acetic acid [4-[4,5-bis(hydroxymethyl)-2-oxo-1-pyridinyl]-6-cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [4-[4,5-bis(hydroxymethyl)-2-oxopyridin-1-yl]-6-cyano-2,2-dimethyl-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [6-cyano-4-(2-keto-4,5-dimethylol-1-pyridyl)-2,2-dimethyl-chroman-3-yl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-12(26)28-20-19(23-9-15(11-25)14(10-24)7-18(23)27)16-6-13(8-22)4-5-17(16)29-21(20,2)3/h4-7,9,19-20,24-25H,10-11H2,1-3H3