4,4-dimethyl-2-[(2-morpholin-4-yl-5-nitro-phenyl)methylidene]-3-oxidanylidene-pentanenitrile

Systemtic Name: 4,4-dimethyl-2-[(2-morpholin-4-yl-5-nitro-phenyl)methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: 4,4-dimethyl-2-[(2-morpholino-5-nitro-phenyl)methylene]-3-oxo-pentanenitrile CAS Name: 4,4-dimethyl-2-[[2-(4-morpholinyl)-5-nitrophenyl]methylidene]-3-oxopentanenitrile IUPAC Name: 4,4-dimethyl-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-oxopentanenitrile Traditional Name: 3-(2-morpholino-5-nitro-phenyl)-2-pivaloyl-acrylonitrile Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2)C#N

Isomeric SMILES

CC(C)(C)C(=O)C(=CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2)C#N

InChI

InChI=1S/C18H21N3O4/c1-18(2,3)17(22)14(12-19)10-13-11-15(21(23)24)4-5-16(13)20-6-8-25-9-7-20/h4-5,10-11H,6-9H2,1-3H3