2-[5-(2-bromanyl-5-fluoranyl-phenyl)carbonyl-2,3-dihydropyrrol-1-yl]pyrrole-1-carboxylic acid

Systemtic Name: 2-[5-(2-bromanyl-5-fluoranyl-phenyl)carbonyl-2,3-dihydropyrrol-1-yl]pyrrole-1-carboxylic acid Openeye Name: 2-[5-(2-bromo-5-fluoro-benzoyl)-2,3-dihydropyrrol-1-yl]pyrrole-1-carboxylic acid CAS Name: 2-[5-[(2-bromo-5-fluorophenyl)-oxomethyl]-2,3-dihydropyrrol-1-yl]-1-pyrrolecarboxylic acid IUPAC Name: 2-[5-(2-bromo-5-fluorobenzoyl)-2,3-dihydropyrrol-1-yl]pyrrole-1-carboxylic acid Traditional Name: 2-[2-(2-bromo-5-fluoro-benzoyl)-2-pyrrolin-1-yl]pyrrole-1-carboxylic acid Formula: C16H12BrFN2O3 MolecularWeight: 379.180483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=C1)C(=O)C2=C(C=CC(=C2)F)Br)C3=CC=CN3C(=O)O

Isomeric SMILES

C1CN(C(=C1)C(=O)C2=C(C=CC(=C2)F)Br)C3=CC=CN3C(=O)O

InChI

InChI=1S/C16H12BrFN2O3/c17-12-6-5-10(18)9-11(12)15(21)13-3-1-7-19(13)14-4-2-8-20(14)16(22)23/h2-6,8-9H,1,7H2,(H,22,23)