4-(4-iodanyl-3-oxidanylidene-cyclopenten-1-yl)oxy-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-(4-iodanyl-3-oxidanylidene-cyclopenten-1-yl)oxy-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-4-(4-iodo-3-oxo-cyclopenten-1-yl)oxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 3-hydroxy-4-[(4-iodo-3-oxo-1-cyclopentenyl)oxy]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-4-(4-iodo-3-oxocyclopenten-1-yl)oxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-(4-iodo-3-keto-cyclopenten-1-yl)oxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C17H16INO4 MolecularWeight: 425.21771

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=CC(=O)C(C3)I)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=CC(=O)C(C3)I)O)C

InChI

InChI=1S/C17H16INO4/c1-17(2)16(21)15(22-10-6-12(18)13(20)7-10)11-5-9(8-19)3-4-14(11)23-17/h3-5,7,12,15-16,21H,6H2,1-2H3