2-tert-butyl-2-methyl-5-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]-1,3-dioxane-4,6-dione

Systemtic Name: 2-tert-butyl-2-methyl-5-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]-1,3-dioxane-4,6-dione Openeye Name: 2-tert-butyl-2-methyl-5-[[3-nitro-4-(1-piperidyl)phenyl]methylene]-1,3-dioxane-4,6-dione CAS Name: 2-tert-butyl-2-methyl-5-[[3-nitro-4-(1-piperidinyl)phenyl]methylidene]-1,3-dioxane-4,6-dione IUPAC Name: 2-tert-butyl-2-methyl-5-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]-1,3-dioxane-4,6-dione Traditional Name: 2-tert-butyl-2-methyl-5-(3-nitro-4-piperidino-benzylidene)-1,3-dioxane-4,6-quinone Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CC2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C(=O)O1)C(C)(C)C

Isomeric SMILES

CC1(OC(=O)C(=CC2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C(=O)O1)C(C)(C)C

InChI

InChI=1S/C21H26N2O6/c1-20(2,3)21(4)28-18(24)15(19(25)29-21)12-14-8-9-16(17(13-14)23(26)27)22-10-6-5-7-11-22/h8-9,12-13H,5-7,10-11H2,1-4H3