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

Systemtic Name: 2,2-dimethyl-5-[1-(4-nitrophenyl)-3-phenyl-prop-2-ynyl]-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-[1-(4-nitrophenyl)-3-phenyl-prop-2-ynyl]-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[1-(4-nitrophenyl)-3-phenylprop-2-ynyl]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-[1-(4-nitrophenyl)-3-phenylprop-2-ynyl]-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-[1-(4-nitrophenyl)-3-phenyl-prop-2-ynyl]-1,3-dioxane-4,6-quinone Formula: C21H17NO6 MolecularWeight: 379.36278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)C(C#CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)C(C#CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H17NO6/c1-21(2)27-19(23)18(20(24)28-21)17(13-8-14-6-4-3-5-7-14)15-9-11-16(12-10-15)22(25)26/h3-7,9-12,17-18H,1-2H3