4-[3-(1,3-dioxan-2-yl)propanoyl]benzenecarbonitrile

Systemtic Name: 4-[3-(1,3-dioxan-2-yl)propanoyl]benzenecarbonitrile Openeye Name: 4-[3-(1,3-dioxan-2-yl)propanoyl]benzonitrile CAS Name: 4-[3-(1,3-dioxan-2-yl)-1-oxopropyl]benzonitrile IUPAC Name: 4-[3-(1,3-dioxan-2-yl)propanoyl]benzonitrile Traditional Name: 4-[3-(1,3-dioxan-2-yl)propanoyl]benzonitrile Formula: C14H15NO3 MolecularWeight: 245.2738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)CCC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1COC(OC1)CCC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H15NO3/c15-10-11-2-4-12(5-3-11)13(16)6-7-14-17-8-1-9-18-14/h2-5,14H,1,6-9H2