2-[4-chloranyl-1-methyl-5-(2,4,6-trimethylphenyl)carbonyl-pyrrol-2-yl]ethanenitrile

Systemtic Name: 2-[4-chloranyl-1-methyl-5-(2,4,6-trimethylphenyl)carbonyl-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[4-chloro-1-methyl-5-(2,4,6-trimethylbenzoyl)pyrrol-2-yl]acetonitrile CAS Name: 2-[4-chloro-1-methyl-5-[oxo-(2,4,6-trimethylphenyl)methyl]-2-pyrrolyl]acetonitrile IUPAC Name: 2-[4-chloro-1-methyl-5-(2,4,6-trimethylbenzoyl)pyrrol-2-yl]acetonitrile Traditional Name: 2-[4-chloro-1-methyl-5-(2,4,6-trimethylbenzoyl)pyrrol-2-yl]acetonitrile Formula: C17H17ClN2O MolecularWeight: 300.78268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)C2=C(C=C(N2C)CC#N)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C2=C(C=C(N2C)CC#N)Cl)C

InChI

InChI=1S/C17H17ClN2O/c1-10-7-11(2)15(12(3)8-10)17(21)16-14(18)9-13(5-6-19)20(16)4/h7-9H,5H2,1-4H3