2-[3-(2-chloranylpropanoyl)-2,5-dimethyl-pyrrol-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[3-(2-chloranylpropanoyl)-2,5-dimethyl-pyrrol-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[3-(2-chloropropanoyl)-2,5-dimethyl-pyrrol-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[3-(2-chloro-1-oxopropyl)-2,5-dimethyl-1-pyrrolyl]-6-fluorobenzonitrile IUPAC Name: 2-[3-(2-chloropropanoyl)-2,5-dimethylpyrrol-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[3-(2-chloropropanoyl)-2,5-dimethyl-pyrrol-1-yl]-6-fluoro-benzonitrile Formula: C16H14ClFN2O MolecularWeight: 304.746563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C(=CC=C2)F)C#N)C)C(=O)C(C)Cl

Isomeric SMILES

CC1=CC(=C(N1C2=C(C(=CC=C2)F)C#N)C)C(=O)C(C)Cl

InChI

InChI=1S/C16H14ClFN2O/c1-9-7-12(16(21)10(2)17)11(3)20(9)15-6-4-5-14(18)13(15)8-19/h4-7,10H,1-3H3