(2-chloranyl-4-cyano-phenyl) 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: (2-chloranyl-4-cyano-phenyl) 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: (2-chloro-4-cyano-phenyl) 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid (2-chloro-4-cyanophenyl) ester IUPAC Name: (2-chloro-4-cyanophenyl) 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid (2-chloro-4-cyano-phenyl) ester Formula: C17H12ClNO4 MolecularWeight: 329.73448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)OC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)OC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C17H12ClNO4/c18-13-7-12(9-19)2-4-14(13)23-17(20)6-3-11-1-5-15-16(8-11)22-10-21-15/h1-2,4-5,7-8H,3,6,10H2