5-[1H-indol-3-yl-(3-nitrophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[1H-indol-3-yl-(3-nitrophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[1H-indol-3-yl-(3-nitrophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[1H-indol-3-yl-(3-nitrophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[1H-indol-3-yl-(3-nitrophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[1H-indol-3-yl-(3-nitrophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)C(C2=CC(=CC=C2)[N+](=O)[O-])C3=CNC4=CC=CC=C43)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)C(C2=CC(=CC=C2)[N+](=O)[O-])C3=CNC4=CC=CC=C43)C

InChI

InChI=1S/C21H18N2O6/c1-21(2)28-19(24)18(20(25)29-21)17(12-6-5-7-13(10-12)23(26)27)15-11-22-16-9-4-3-8-14(15)16/h3-11,17-18,22H,1-2H3