4,5-bis(2-bromanylpropan-2-yl)-2-[4-(bromomethyl)phenyl]-1H-pyrrole-3-carbonitrile

Systemtic Name: 4,5-bis(2-bromanylpropan-2-yl)-2-[4-(bromomethyl)phenyl]-1H-pyrrole-3-carbonitrile Openeye Name: 4,5-bis(1-bromo-1-methyl-ethyl)-2-[4-(bromomethyl)phenyl]-1H-pyrrole-3-carbonitrile CAS Name: 2-[4-(bromomethyl)phenyl]-4,5-bis(2-bromopropan-2-yl)-1H-pyrrole-3-carbonitrile IUPAC Name: 2-[4-(bromomethyl)phenyl]-4,5-bis(2-bromopropan-2-yl)-1H-pyrrole-3-carbonitrile Traditional Name: 4,5-bis(1-bromo-1-methyl-ethyl)-2-[4-(bromomethyl)phenyl]-1H-pyrrole-3-carbonitrile Formula: C18H19Br3N2 MolecularWeight: 503.06886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(NC(=C1C#N)C2=CC=C(C=C2)CBr)C(C)(C)Br)Br

Isomeric SMILES

CC(C)(C1=C(NC(=C1C#N)C2=CC=C(C=C2)CBr)C(C)(C)Br)Br

InChI

InChI=1S/C18H19Br3N2/c1-17(2,20)14-13(10-22)15(23-16(14)18(3,4)21)12-7-5-11(9-19)6-8-12/h5-8,23H,9H2,1-4H3