(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4-cyanophenyl)propanoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4-cyanophenyl)propanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H16ClNO4 MolecularWeight: 357.78764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H16ClNO4/c20-16-9-15(10-17-19(16)24-8-7-23-17)12-25-18(22)6-5-13-1-3-14(11-21)4-2-13/h1-4,9-10H,5-8,12H2