4-[2-(6-chloranyl-1,3-benzodioxol-5-yl)-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-(6-chloranyl-1,3-benzodioxol-5-yl)-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-(6-chloro-1,3-benzodioxol-5-yl)-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-(6-chloro-1,3-benzodioxol-5-yl)-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-(6-chloro-1,3-benzodioxol-5-yl)-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-(6-chloro-1,3-benzodioxol-5-yl)-1-cyano-vinyl]benzoic acid Formula: C17H10ClNO4 MolecularWeight: 327.7186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10ClNO4/c18-14-7-16-15(22-9-23-16)6-12(14)5-13(8-19)10-1-3-11(4-2-10)17(20)21/h1-7H,9H2,(H,20,21)