4-[(2R,3R)-3-methyl-2-oxidanyl-4-oxidanylidene-3H-chromen-2-yl]benzenecarbonitrile

Systemtic Name: 4-[(2R,3R)-3-methyl-2-oxidanyl-4-oxidanylidene-3H-chromen-2-yl]benzenecarbonitrile Openeye Name: 4-[(2R,3R)-2-hydroxy-3-methyl-4-oxo-chroman-2-yl]benzonitrile CAS Name: 4-[(2R,3R)-2-hydroxy-3-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]benzonitrile IUPAC Name: 4-[(2R,3R)-2-hydroxy-3-methyl-4-oxo-3H-chromen-2-yl]benzonitrile Traditional Name: 4-[(2R,3R)-2-hydroxy-4-keto-3-methyl-chroman-2-yl]benzonitrile Formula: C17H13NO3 MolecularWeight: 279.29002

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C2=CC=CC=C2OC1(C3=CC=C(C=C3)C#N)O

Isomeric SMILES

C[C@@H]1C(=O)C2=CC=CC=C2O[C@]1(C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C17H13NO3/c1-11-16(19)14-4-2-3-5-15(14)21-17(11,20)13-8-6-12(10-18)7-9-13/h2-9,11,20H,1H3/t11-,17-/m1/s1