1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(7-chloro-1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(7-chloro-1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(7-chloropiperonyloyl)proline Formula: C13H12ClNO5 MolecularWeight: 297.69108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC3=C(C(=C2)Cl)OCO3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC3=C(C(=C2)Cl)OCO3)C(=O)O

InChI

InChI=1S/C13H12ClNO5/c14-8-4-7(5-10-11(8)20-6-19-10)12(16)15-3-1-2-9(15)13(17)18/h4-5,9H,1-3,6H2,(H,17,18)