2-[5-(cyanomethyl)-1-methyl-pyrrol-2-yl]-2-(4-methylphenyl)-2-oxidanyl-ethanenitrile

Systemtic Name: 2-[5-(cyanomethyl)-1-methyl-pyrrol-2-yl]-2-(4-methylphenyl)-2-oxidanyl-ethanenitrile Openeye Name: 2-[5-(cyanomethyl)-1-methyl-pyrrol-2-yl]-2-hydroxy-2-(p-tolyl)acetonitrile CAS Name: 2-[5-(cyanomethyl)-1-methyl-2-pyrrolyl]-2-hydroxy-2-(4-methylphenyl)acetonitrile IUPAC Name: 2-[5-(cyanomethyl)-1-methylpyrrol-2-yl]-2-hydroxy-2-(4-methylphenyl)acetonitrile Traditional Name: 2-[5-(cyanomethyl)-1-methyl-pyrrol-2-yl]-2-hydroxy-2-(p-tolyl)acetonitrile Formula: C16H15N3O MolecularWeight: 265.3098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C#N)(C2=CC=C(N2C)CC#N)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C#N)(C2=CC=C(N2C)CC#N)O

InChI

InChI=1S/C16H15N3O/c1-12-3-5-13(6-4-12)16(20,11-18)15-8-7-14(9-10-17)19(15)2/h3-8,20H,9H2,1-2H3