4-[4-[1,3-bis(oxidanyl)propyl]-2-oxidanylidene-pyridin-1-yl]-2,2-dimethyl-chromene-6-carbonitrile

Systemtic Name: 4-[4-[1,3-bis(oxidanyl)propyl]-2-oxidanylidene-pyridin-1-yl]-2,2-dimethyl-chromene-6-carbonitrile Openeye Name: 4-[4-(1,3-dihydroxypropyl)-2-oxo-1-pyridyl]-2,2-dimethyl-chromene-6-carbonitrile CAS Name: 4-[4-(1,3-dihydroxypropyl)-2-oxo-1-pyridinyl]-2,2-dimethyl-1-benzopyran-6-carbonitrile IUPAC Name: 4-[4-(1,3-dihydroxypropyl)-2-oxopyridin-1-yl]-2,2-dimethylchromene-6-carbonitrile Traditional Name: 4-[4-(1,3-dihydroxypropyl)-2-keto-1-pyridyl]-2,2-dimethyl-chromene-6-carbonitrile Formula: C20H20N2O4 MolecularWeight: 352.3838

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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)C(CCO)O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4/c1-20(2)11-16(15-9-13(12-21)3-4-18(15)26-20)22-7-5-14(10-19(22)25)17(24)6-8-23/h3-5,7,9-11,17,23-24H,6,8H2,1-2H3