2,2-dimethyl-3-oxidanyl-4-(3-oxidanylidenecyclohexen-1-yl)oxy-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-dimethyl-3-oxidanyl-4-(3-oxidanylidenecyclohexen-1-yl)oxy-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-dimethyl-4-(3-oxocyclohexen-1-yl)oxy-chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclohexenyl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-dimethyl-4-(3-oxocyclohexen-1-yl)oxy-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-(3-ketocyclohexen-1-yl)oxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=CC(=O)CCC3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=CC(=O)CCC3)O)C

InChI

InChI=1S/C18H19NO4/c1-18(2)17(21)16(22-13-5-3-4-12(20)9-13)14-8-11(10-19)6-7-15(14)23-18/h6-9,16-17,21H,3-5H2,1-2H3