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

Systemtic Name: 2-[4-bromanyl-5-(2,4,6-trimethylphenyl)carbonyl-1H-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[4-bromo-5-(2,4,6-trimethylbenzoyl)-1H-pyrrol-2-yl]acetonitrile CAS Name: 2-[4-bromo-5-[oxo-(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl]acetonitrile IUPAC Name: 2-[4-bromo-5-(2,4,6-trimethylbenzoyl)-1H-pyrrol-2-yl]acetonitrile Traditional Name: 2-[4-bromo-5-(2,4,6-trimethylbenzoyl)-1H-pyrrol-2-yl]acetonitrile Formula: C16H15BrN2O MolecularWeight: 331.2071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)C2=C(C=C(N2)CC#N)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C2=C(C=C(N2)CC#N)Br)C

InChI

InChI=1S/C16H15BrN2O/c1-9-6-10(2)14(11(3)7-9)16(20)15-13(17)8-12(19-15)4-5-18/h6-8,19H,4H2,1-3H3