2,2-dimethyl-5-[(5-nitro-1H-indol-3-yl)methyl]-1,3-dioxane-4,6-dione; 3-(5-nitro-1H-indol-3-yl)propan-1-ol

Systemtic Name: 2,2-dimethyl-5-[(5-nitro-1H-indol-3-yl)methyl]-1,3-dioxane-4,6-dione; 3-(5-nitro-1H-indol-3-yl)propan-1-ol Openeye Name: 2,2-dimethyl-5-[(5-nitro-1H-indol-3-yl)methyl]-1,3-dioxane-4,6-dione; 3-(5-nitro-1H-indol-3-yl)propan-1-ol CAS Name: 2,2-dimethyl-5-[(5-nitro-1H-indol-3-yl)methyl]-1,3-dioxane-4,6-dione; 3-(5-nitro-1H-indol-3-yl)-1-propanol IUPAC Name: 2,2-dimethyl-5-[(5-nitro-1H-indol-3-yl)methyl]-1,3-dioxane-4,6-dione; 3-(5-nitro-1H-indol-3-yl)propan-1-ol Traditional Name: 2,2-dimethyl-5-[(5-nitro-1H-indol-3-yl)methyl]-1,3-dioxane-4,6-quinone; 3-(5-nitro-1H-indol-3-yl)propan-1-ol Formula: C26H26N4O9 MolecularWeight: 538.50604

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C.C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)CCCO

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C.C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)CCCO

InChI

InChI=1S/C15H14N2O6.C11H12N2O3/c1-15(2)22-13(18)11(14(19)23-15)5-8-7-16-12-4-3-9(17(20)21)6-10(8)12;14-5-1-2-8-7-12-11-4-3-9(13(15)16)6-10(8)11/h3-4,6-7,11,16H,5H2,1-2H3;3-4,6-7,12,14H,1-2,5H2