1-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-4-bromanyl-2,5-diphenyl-pyrrole-3-carbonitrile

Systemtic Name: 1-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-4-bromanyl-2,5-diphenyl-pyrrole-3-carbonitrile Openeye Name: 4-bromo-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-2,5-diphenyl-pyrrole-3-carbonitrile CAS Name: 4-bromo-1-(1,3-dihydroxypropan-2-yloxymethyl)-2,5-diphenyl-3-pyrrolecarbonitrile IUPAC Name: 4-bromo-1-(1,3-dihydroxypropan-2-yloxymethyl)-2,5-diphenylpyrrole-3-carbonitrile Traditional Name: 4-bromo-1-[(2-hydroxy-1-methylol-ethoxy)methyl]-2,5-diphenyl-pyrrole-3-carbonitrile Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(N2COC(CO)CO)C3=CC=CC=C3)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(N2COC(CO)CO)C3=CC=CC=C3)Br)C#N

InChI

InChI=1S/C21H19BrN2O3/c22-19-18(11-23)20(15-7-3-1-4-8-15)24(14-27-17(12-25)13-26)21(19)16-9-5-2-6-10-16/h1-10,17,25-26H,12-14H2