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

Systemtic Name: 2-[4-bromanyl-1-ethyl-5-(4-methoxyphenyl)carbonyl-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[4-bromo-1-ethyl-5-(4-methoxybenzoyl)pyrrol-2-yl]acetonitrile CAS Name: 2-[4-bromo-1-ethyl-5-[(4-methoxyphenyl)-oxomethyl]-2-pyrrolyl]acetonitrile IUPAC Name: 2-[4-bromo-1-ethyl-5-(4-methoxybenzoyl)pyrrol-2-yl]acetonitrile Traditional Name: 2-(4-bromo-1-ethyl-5-p-anisoyl-pyrrol-2-yl)acetonitrile Formula: C16H15BrN2O2 MolecularWeight: 347.2065

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C(=O)C2=CC=C(C=C2)OC)Br)CC#N

Isomeric SMILES

CCN1C(=CC(=C1C(=O)C2=CC=C(C=C2)OC)Br)CC#N

InChI

InChI=1S/C16H15BrN2O2/c1-3-19-12(8-9-18)10-14(17)15(19)16(20)11-4-6-13(21-2)7-5-11/h4-7,10H,3,8H2,1-2H3