2-[5-(3-chlorophenyl)carbonyl-1-methyl-pyrrol-2-yl]ethanenitrile

Systemtic Name: 2-[5-(3-chlorophenyl)carbonyl-1-methyl-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[5-(3-chlorobenzoyl)-1-methyl-pyrrol-2-yl]acetonitrile CAS Name: 2-[5-[(3-chlorophenyl)-oxomethyl]-1-methyl-2-pyrrolyl]acetonitrile IUPAC Name: 2-[5-(3-chlorobenzoyl)-1-methylpyrrol-2-yl]acetonitrile Traditional Name: 2-[5-(3-chlorobenzoyl)-1-methyl-pyrrol-2-yl]acetonitrile Formula: C14H11ClN2O MolecularWeight: 258.70294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C(=O)C2=CC(=CC=C2)Cl)CC#N

Isomeric SMILES

CN1C(=CC=C1C(=O)C2=CC(=CC=C2)Cl)CC#N

InChI

InChI=1S/C14H11ClN2O/c1-17-12(7-8-16)5-6-13(17)14(18)10-3-2-4-11(15)9-10/h2-6,9H,7H2,1H3