4-[oxidanyl-(4-oxidanylidene-3-phenylmethoxy-pyran-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[oxidanyl-(4-oxidanylidene-3-phenylmethoxy-pyran-2-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(3-benzyloxy-4-oxo-pyran-2-yl)-hydroxy-methyl]benzonitrile CAS Name: 4-[hydroxy-(4-oxo-3-phenylmethoxy-2-pyranyl)methyl]benzonitrile IUPAC Name: 4-[hydroxy-(4-oxo-3-phenylmethoxypyran-2-yl)methyl]benzonitrile Traditional Name: 4-[(3-benzoxy-4-keto-pyran-2-yl)-hydroxy-methyl]benzonitrile Formula: C20H15NO4 MolecularWeight: 333.3374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(OC=CC2=O)C(C3=CC=C(C=C3)C#N)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(OC=CC2=O)C(C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C20H15NO4/c21-12-14-6-8-16(9-7-14)18(23)20-19(17(22)10-11-24-20)25-13-15-4-2-1-3-5-15/h1-11,18,23H,13H2