[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-chloranyl-4-fluoranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-chloranyl-4-fluoranyl-benzoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-chloro-4-fluoro-benzoate CAS Name: 2-chloro-4-fluorobenzoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-chloro-4-fluorobenzoate Traditional Name: 2-chloro-4-fluoro-benzoic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C16H15ClFNO3 MolecularWeight: 323.746603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C16H15ClFNO3/c1-9-6-13(10(2)19(9)3)15(20)8-22-16(21)12-5-4-11(18)7-14(12)17/h4-7H,8H2,1-3H3