(2E)-4,4-dimethyl-2-[[5-(3-nitrophenyl)thiophen-2-yl]methylidene]-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-4,4-dimethyl-2-[[5-(3-nitrophenyl)thiophen-2-yl]methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-4,4-dimethyl-2-[[5-(3-nitrophenyl)-2-thienyl]methylene]-3-oxo-pentanenitrile CAS Name: (2E)-4,4-dimethyl-2-[[5-(3-nitrophenyl)-2-thiophenyl]methylidene]-3-oxopentanenitrile IUPAC Name: (2E)-4,4-dimethyl-2-[[5-(3-nitrophenyl)thiophen-2-yl]methylidene]-3-oxopentanenitrile Traditional Name: (E)-3-[5-(3-nitrophenyl)-2-thienyl]-2-pivaloyl-acrylonitrile Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CC=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H16N2O3S/c1-18(2,3)17(21)13(11-19)10-15-7-8-16(24-15)12-5-4-6-14(9-12)20(22)23/h4-10H,1-3H3/b13-10+