(2E)-2-[[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-[4-methoxy-3-(4-nitrobenzyl)oxy-phenyl]-2-pivaloyl-acrylonitrile Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC(=C(C=C1)OC)OCC2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CC(=C(C=C1)OC)OCC2=CC=C(C=C2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C22H22N2O5/c1-22(2,3)21(25)17(13-23)11-16-7-10-19(28-4)20(12-16)29-14-15-5-8-18(9-6-15)24(26)27/h5-12H,14H2,1-4H3/b17-11+