2-[4-bromanyl-5-(3-chlorophenyl)carbonyl-1-ethyl-pyrrol-2-yl]ethanenitrile

Systemtic Name: 2-[4-bromanyl-5-(3-chlorophenyl)carbonyl-1-ethyl-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[4-bromo-5-(3-chlorobenzoyl)-1-ethyl-pyrrol-2-yl]acetonitrile CAS Name: 2-[4-bromo-5-[(3-chlorophenyl)-oxomethyl]-1-ethyl-2-pyrrolyl]acetonitrile IUPAC Name: 2-[4-bromo-5-(3-chlorobenzoyl)-1-ethylpyrrol-2-yl]acetonitrile Traditional Name: 2-[4-bromo-5-(3-chlorobenzoyl)-1-ethyl-pyrrol-2-yl]acetonitrile Formula: C15H12BrClN2O MolecularWeight: 351.62558

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C(=O)C2=CC(=CC=C2)Cl)Br)CC#N

Isomeric SMILES

CCN1C(=CC(=C1C(=O)C2=CC(=CC=C2)Cl)Br)CC#N

InChI

InChI=1S/C15H12BrClN2O/c1-2-19-12(6-7-18)9-13(16)14(19)15(20)10-4-3-5-11(17)8-10/h3-5,8-9H,2,6H2,1H3