5-[4-(2,2-dimethylpropanoyl)phenyl]-1-methyl-pyrrole-2-carbonitrile

Systemtic Name: 5-[4-(2,2-dimethylpropanoyl)phenyl]-1-methyl-pyrrole-2-carbonitrile Openeye Name: 5-[4-(2,2-dimethylpropanoyl)phenyl]-1-methyl-pyrrole-2-carbonitrile CAS Name: 5-[4-(2,2-dimethyl-1-oxopropyl)phenyl]-1-methyl-2-pyrrolecarbonitrile IUPAC Name: 5-[4-(2,2-dimethylpropanoyl)phenyl]-1-methylpyrrole-2-carbonitrile Traditional Name: 1-methyl-5-(4-pivaloylphenyl)pyrrole-2-carbonitrile Formula: C17H18N2O MolecularWeight: 266.33762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O/c1-17(2,3)16(20)13-7-5-12(6-8-13)15-10-9-14(11-18)19(15)4/h5-10H,1-4H3