2,2-dimethyl-5-(2-methylprop-2-enyl)-5-[1-(4-nitrophenyl)but-3-ynyl]-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-(2-methylprop-2-enyl)-5-[1-(4-nitrophenyl)but-3-ynyl]-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-(2-methylallyl)-5-[1-(4-nitrophenyl)but-3-ynyl]-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-(2-methylprop-2-enyl)-5-[1-(4-nitrophenyl)but-3-ynyl]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-(2-methylprop-2-enyl)-5-[1-(4-nitrophenyl)but-3-ynyl]-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-(2-methylallyl)-5-[1-(4-nitrophenyl)but-3-ynyl]-1,3-dioxane-4,6-quinone Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC1(C(=O)OC(OC1=O)(C)C)C(CC#C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=C)CC1(C(=O)OC(OC1=O)(C)C)C(CC#C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO6/c1-6-7-16(14-8-10-15(11-9-14)21(24)25)20(12-13(2)3)17(22)26-19(4,5)27-18(20)23/h1,8-11,16H,2,7,12H2,3-5H3