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

Systemtic Name: 2,2-dimethyl-5-[1-(4-nitrophenyl)but-3-ynyl]-5-prop-2-enyl-1,3-dioxane-4,6-dione Openeye Name: 5-allyl-2,2-dimethyl-5-[1-(4-nitrophenyl)but-3-ynyl]-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[1-(4-nitrophenyl)but-3-ynyl]-5-prop-2-enyl-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-[1-(4-nitrophenyl)but-3-ynyl]-5-prop-2-enyl-1,3-dioxane-4,6-dione Traditional Name: 5-allyl-2,2-dimethyl-5-[1-(4-nitrophenyl)but-3-ynyl]-1,3-dioxane-4,6-quinone Formula: C19H19NO6 MolecularWeight: 357.35726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO6/c1-5-7-15(13-8-10-14(11-9-13)20(23)24)19(12-6-2)16(21)25-18(3,4)26-17(19)22/h1,6,8-11,15H,2,7,12H2,3-4H3