1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(7-chloro-1,3-benzodioxole-5-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(7-chloro-1,3-benzodioxole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-(7-chloropiperonyloyl)-4-hydroxy-proline Formula: C13H12ClNO6 MolecularWeight: 313.69048

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C(=O)C2=CC3=C(C(=C2)Cl)OCO3)O

Isomeric SMILES

C1C(CN(C1C(=O)O)C(=O)C2=CC3=C(C(=C2)Cl)OCO3)O

InChI

InChI=1S/C13H12ClNO6/c14-8-1-6(2-10-11(8)21-5-20-10)12(17)15-4-7(16)3-9(15)13(18)19/h1-2,7,9,16H,3-5H2,(H,18,19)