5-[(E)-3-oxidanyl-5-oxidanylidene-7-phenylmethoxy-hept-3-en-4-yl]oxybenzene-1,3-dicarbonitrile

Systemtic Name: 5-[(E)-3-oxidanyl-5-oxidanylidene-7-phenylmethoxy-hept-3-en-4-yl]oxybenzene-1,3-dicarbonitrile Openeye Name: 5-[(E)-1-(3-benzyloxypropanoyl)-2-hydroxy-but-1-enoxy]benzene-1,3-dicarbonitrile CAS Name: 5-[(E)-3-hydroxy-5-oxo-7-phenylmethoxyhept-3-en-4-yl]oxybenzene-1,3-dicarbonitrile IUPAC Name: 5-[(E)-3-hydroxy-5-oxo-7-phenylmethoxyhept-3-en-4-yl]oxybenzene-1,3-dicarbonitrile Traditional Name: 5-[(E)-1-(3-benzoxypropanoyl)-2-hydroxy-but-1-enoxy]isophthalonitrile Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C(=O)CCOCC1=CC=CC=C1)OC2=CC(=CC(=C2)C#N)C#N)O

Isomeric SMILES

CC/C(=C(/C(=O)CCOCC1=CC=CC=C1)\OC2=CC(=CC(=C2)C#N)C#N)/O

InChI

InChI=1S/C22H20N2O4/c1-2-20(25)22(28-19-11-17(13-23)10-18(12-19)14-24)21(26)8-9-27-15-16-6-4-3-5-7-16/h3-7,10-12,25H,2,8-9,15H2,1H3/b22-20+