(2E)-4,4-dimethyl-2-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-4,4-dimethyl-2-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-4,4-dimethyl-2-[[3-nitro-4-(1-piperidyl)phenyl]methylene]-3-oxo-pentanenitrile CAS Name: (2E)-4,4-dimethyl-2-[[3-nitro-4-(1-piperidinyl)phenyl]methylidene]-3-oxopentanenitrile IUPAC Name: (2E)-4,4-dimethyl-2-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]-3-oxopentanenitrile Traditional Name: (E)-3-(3-nitro-4-piperidino-phenyl)-2-pivaloyl-acrylonitrile Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C19H23N3O3/c1-19(2,3)18(23)15(13-20)11-14-7-8-16(17(12-14)22(24)25)21-9-5-4-6-10-21/h7-8,11-12H,4-6,9-10H2,1-3H3/b15-11+