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

Systemtic Name: 4-[4-[1,4-bis(oxidanyl)butyl]-2-oxidanylidene-pyridin-1-yl]-2,2-dimethyl-chromene-6-carbonitrile Openeye Name: 4-[4-(1,4-dihydroxybutyl)-2-oxo-1-pyridyl]-2,2-dimethyl-chromene-6-carbonitrile CAS Name: 4-[4-(1,4-dihydroxybutyl)-2-oxo-1-pyridinyl]-2,2-dimethyl-1-benzopyran-6-carbonitrile IUPAC Name: 4-[4-(1,4-dihydroxybutyl)-2-oxopyridin-1-yl]-2,2-dimethylchromene-6-carbonitrile Traditional Name: 4-[4-(1,4-dihydroxybutyl)-2-keto-1-pyridyl]-2,2-dimethyl-chromene-6-carbonitrile Formula: C21H22N2O4 MolecularWeight: 366.41038

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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(CCCO)O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-21(2)12-17(16-10-14(13-22)5-6-19(16)27-21)23-8-7-15(11-20(23)26)18(25)4-3-9-24/h5-8,10-12,18,24-25H,3-4,9H2,1-2H3