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

Systemtic Name: (2E)-4,4-dimethyl-2-[(2-nitro-4-phenoxy-phenyl)-oxidanyl-methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[hydroxy-(2-nitro-4-phenoxy-phenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[hydroxy-(2-nitro-4-phenoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[hydroxy-(2-nitro-4-phenoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-hydroxy-3-(2-nitro-4-phenoxy-phenyl)-2-pivaloyl-acrylonitrile Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=C(C1=C(C=C(C=C1)OC2=CC=CC=C2)[N+](=O)[O-])O)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C(\C1=C(C=C(C=C1)OC2=CC=CC=C2)[N+](=O)[O-])/O)/C#N

InChI

InChI=1S/C20H18N2O5/c1-20(2,3)19(24)16(12-21)18(23)15-10-9-14(11-17(15)22(25)26)27-13-7-5-4-6-8-13/h4-11,23H,1-3H3/b18-16+