1-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]proline Formula: C14H13BrFNO3 MolecularWeight: 342.160323

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CC2=C(C=CC(=C2)Br)F)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)/C=C/C2=C(C=CC(=C2)Br)F)C(=O)O

InChI

InChI=1S/C14H13BrFNO3/c15-10-4-5-11(16)9(8-10)3-6-13(18)17-7-1-2-12(17)14(19)20/h3-6,8,12H,1-2,7H2,(H,19,20)/b6-3+