2-[2-(4-tert-butylphenyl)-3-ethanoyl-4,5-bis(oxidanylidene)pyrrolidin-1-yl]ethanenitrile

Systemtic Name: 2-[2-(4-tert-butylphenyl)-3-ethanoyl-4,5-bis(oxidanylidene)pyrrolidin-1-yl]ethanenitrile Openeye Name: 2-[3-acetyl-2-(4-tert-butylphenyl)-4,5-dioxo-pyrrolidin-1-yl]acetonitrile CAS Name: 2-[3-acetyl-2-(4-tert-butylphenyl)-4,5-dioxo-1-pyrrolidinyl]acetonitrile IUPAC Name: 2-[3-acetyl-2-(4-tert-butylphenyl)-4,5-dioxopyrrolidin-1-yl]acetonitrile Traditional Name: 2-[3-acetyl-2-(4-tert-butylphenyl)-4,5-diketo-pyrrolidino]acetonitrile Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(N(C(=O)C1=O)CC#N)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(=O)C1C(N(C(=O)C1=O)CC#N)C2=CC=C(C=C2)C(C)(C)C

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/h5-8,14-15H,10H2,1-4H3