(2E)-4,4-dimethyl-2-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-4,4-dimethyl-2-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-4,4-dimethyl-2-[[1-(4-nitrophenyl)pyrrol-2-yl]methylene]-3-oxo-pentanenitrile CAS Name: (2E)-4,4-dimethyl-2-[[1-(4-nitrophenyl)-2-pyrrolyl]methylidene]-3-oxopentanenitrile IUPAC Name: (2E)-4,4-dimethyl-2-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-oxopentanenitrile Traditional Name: (E)-3-[1-(4-nitrophenyl)pyrrol-2-yl]-2-pivaloyl-acrylonitrile Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC=CN1C2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CC=CN1C2=CC=C(C=C2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H17N3O3/c1-18(2,3)17(22)13(12-19)11-16-5-4-10-20(16)14-6-8-15(9-7-14)21(23)24/h4-11H,1-3H3/b13-11+