4-[5-(hydroxymethyl)-2-oxidanylidene-pyridin-1-yl]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[5-(hydroxymethyl)-2-oxidanylidene-pyridin-1-yl]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-4-[5-(hydroxymethyl)-2-oxo-1-pyridyl]-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 3-hydroxy-4-[5-(hydroxymethyl)-2-oxo-1-pyridinyl]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-4-[5-(hydroxymethyl)-2-oxopyridin-1-yl]-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-(2-keto-5-methylol-1-pyridyl)-2,2-dimethyl-chroman-6-carbonitrile Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=C(C=CC3=O)CO)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=C(C=CC3=O)CO)O)C

InChI

InChI=1S/C18H18N2O4/c1-18(2)17(23)16(20-9-12(10-21)4-6-15(20)22)13-7-11(8-19)3-5-14(13)24-18/h3-7,9,16-17,21,23H,10H2,1-2H3