4-[4-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethoxy]phenyl]benzonitrile CAS Name: 4-[4-[2-(1,3-benzodioxol-5-yl)-2-oxoethoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[2-(1,3-benzodioxol-5-yl)-2-oxoethoxy]phenyl]benzonitrile Traditional Name: 4-[4-[2-(1,3-benzodioxol-5-yl)-2-keto-ethoxy]phenyl]benzonitrile Formula: C22H15NO4 MolecularWeight: 357.3588

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H15NO4/c23-12-15-1-3-16(4-2-15)17-5-8-19(9-6-17)25-13-20(24)18-7-10-21-22(11-18)27-14-26-21/h1-11H,13-14H2