(2E)-2-[[4-(2-chloranylphenoxy)-3-nitro-phenyl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[[4-(2-chloranylphenoxy)-3-nitro-phenyl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[[4-(2-chlorophenoxy)-3-nitro-phenyl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[[4-(2-chlorophenoxy)-3-nitrophenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[[4-(2-chlorophenoxy)-3-nitrophenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-[4-(2-chlorophenoxy)-3-nitro-phenyl]-2-pivaloyl-acrylonitrile Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC(=C(C=C1)OC2=CC=CC=C2Cl)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CC(=C(C=C1)OC2=CC=CC=C2Cl)[N+](=O)[O-])/C#N

InChI

InChI=1S/C20H17ClN2O4/c1-20(2,3)19(24)14(12-22)10-13-8-9-18(16(11-13)23(25)26)27-17-7-5-4-6-15(17)21/h4-11H,1-3H3/b14-10+