4-[3-(hydroxymethyl)-2,5-dimethyl-pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[3-(hydroxymethyl)-2,5-dimethyl-pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[3-(hydroxymethyl)-2,5-dimethyl-pyrrol-1-yl]benzonitrile CAS Name: 4-[3-(hydroxymethyl)-2,5-dimethyl-1-pyrrolyl]benzonitrile IUPAC Name: 4-[3-(hydroxymethyl)-2,5-dimethylpyrrol-1-yl]benzonitrile Traditional Name: 4-(2,5-dimethyl-3-methylol-pyrrol-1-yl)benzonitrile Formula: C14H14N2O MolecularWeight: 226.27376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C#N)C)CO

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C#N)C)CO

InChI

InChI=1S/C14H14N2O/c1-10-7-13(9-17)11(2)16(10)14-5-3-12(8-15)4-6-14/h3-7,17H,9H2,1-2H3