methyl 4-(2-bromanyl-4-fluoranyl-phenyl)carbonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-(2-bromanyl-4-fluoranyl-phenyl)carbonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-(2-bromo-4-fluoro-benzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(2-bromo-4-fluorophenyl)-oxomethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-bromo-4-fluorobenzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-(2-bromo-4-fluoro-benzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C15H13BrFNO3 MolecularWeight: 354.171023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=C(C=C(C=C2)F)Br

Isomeric SMILES

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C15H13BrFNO3/c1-7-12(13(8(2)18-7)15(20)21-3)14(19)10-5-4-9(17)6-11(10)16/h4-6,18H,1-3H3