2,2-diethyl-3-oxidanyl-4-(3-oxidanylidenecyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-diethyl-3-oxidanyl-4-(3-oxidanylidenecyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carbonitrile Openeye Name: 2,2-diethyl-3-hydroxy-4-(3-oxocyclopenten-1-yl)oxy-chromane-6-carbonitrile CAS Name: 2,2-diethyl-3-hydroxy-4-[(3-oxo-1-cyclopentenyl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 2,2-diethyl-3-hydroxy-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carbonitrile Traditional Name: 2,2-diethyl-3-hydroxy-4-(3-ketocyclopenten-1-yl)oxy-chroman-6-carbonitrile Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=CC(=O)CC3)O)CC

Isomeric SMILES

CCC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=CC(=O)CC3)O)CC

InChI

InChI=1S/C19H21NO4/c1-3-19(4-2)18(22)17(23-14-7-6-13(21)10-14)15-9-12(11-20)5-8-16(15)24-19/h5,8-10,17-18,22H,3-4,6-7H2,1-2H3