(2R)-1-[(E)-3-(5-chloranyl-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2R)-1-[(E)-3-(5-chloranyl-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2R)-1-[(E)-3-(5-chloro-2-hydroxy-phenyl)-2-cyano-prop-2-enoyl]pyrrolidine-2-carboxylic acid CAS Name: (2R)-1-[(E)-3-(5-chloro-2-hydroxyphenyl)-2-cyano-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2R)-1-[(E)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2R)-1-[(E)-3-(5-chloro-2-hydroxy-phenyl)-2-cyano-acryloyl]proline Formula: C15H13ClN2O4 MolecularWeight: 320.72772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(=CC2=C(C=CC(=C2)Cl)O)C#N)C(=O)O

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)/C(=C/C2=C(C=CC(=C2)Cl)O)/C#N)C(=O)O

InChI

InChI=1S/C15H13ClN2O4/c16-11-3-4-13(19)9(7-11)6-10(8-17)14(20)18-5-1-2-12(18)15(21)22/h3-4,6-7,12,19H,1-2,5H2,(H,21,22)/b10-6+/t12-/m1/s1