2,2,3-trimethyl-3-oxidanyl-4-(3-oxidanylidene-1H-isoindol-2-yl)-4H-chromene-6-carbonitrile

Systemtic Name: 2,2,3-trimethyl-3-oxidanyl-4-(3-oxidanylidene-1H-isoindol-2-yl)-4H-chromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2,3-trimethyl-4-(1-oxoisoindolin-2-yl)chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2,3-trimethyl-4-(3-oxo-1H-isoindol-2-yl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2,3-trimethyl-4-(3-oxo-1H-isoindol-2-yl)-4H-chromene-6-carbonitrile Traditional Name: 3-hydroxy-4-(1-ketoisoindolin-2-yl)-2,2,3-trimethyl-chroman-6-carbonitrile Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CC4=CC=CC=C4C3=O)(C)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CC4=CC=CC=C4C3=O)(C)O)C

InChI

InChI=1S/C21H20N2O3/c1-20(2)21(3,25)18(16-10-13(11-22)8-9-17(16)26-20)23-12-14-6-4-5-7-15(14)19(23)24/h4-10,18,25H,12H2,1-3H3