2-[2-(4-tert-butylphenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethanenitrile

Systemtic Name: 2-[2-(4-tert-butylphenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethanenitrile Openeye Name: 2-[3-acetyl-2-(4-tert-butylphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetonitrile CAS Name: 2-[3-acetyl-2-(4-tert-butylphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetonitrile IUPAC Name: 2-[3-acetyl-2-(4-tert-butylphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetonitrile Traditional Name: 2-[3-acetyl-2-(4-tert-butylphenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]acetonitrile Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)C(C)(C)C)CC#N)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)C(C)(C)C)CC#N)O

InChI

InChI=1S/C18H20N2O3/c1-11(21)14-15(20(10-9-19)17(23)16(14)22)12-5-7-13(8-6-12)18(2,3)4/h5-8,15,22H,10H2,1-4H3