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

Systemtic Name: [6-cyano-4-[5-(hydroxymethyl)-2-oxidanylidene-pyridin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [6-cyano-4-[5-(hydroxymethyl)-2-oxo-1-pyridyl]-2,2-dimethyl-chroman-3-yl] acetate CAS Name: acetic acid [6-cyano-4-[5-(hydroxymethyl)-2-oxo-1-pyridinyl]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [6-cyano-4-[5-(hydroxymethyl)-2-oxopyridin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [6-cyano-4-(2-keto-5-methylol-1-pyridyl)-2,2-dimethyl-chroman-3-yl] ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5/c1-12(24)26-19-18(22-10-14(11-23)5-7-17(22)25)15-8-13(9-21)4-6-16(15)27-20(19,2)3/h4-8,10,18-19,23H,11H2,1-3H3