2-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-1,3-dioxane-4,6-dione

Systemtic Name: 2-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-1,3-dioxane-4,6-dione Openeye Name: 2-[4-(4-benzylpiperazin-1-yl)-3-nitro-phenyl]-1,3-dioxane-4,6-dione CAS Name: 2-[3-nitro-4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-1,3-dioxane-4,6-dione IUPAC Name: 2-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-1,3-dioxane-4,6-dione Traditional Name: 2-[4-(4-benzylpiperazino)-3-nitro-phenyl]-1,3-dioxane-4,6-quinone Formula: C21H21N3O6 MolecularWeight: 411.40794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C4OC(=O)CC(=O)O4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C4OC(=O)CC(=O)O4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c25-19-13-20(26)30-21(29-19)16-6-7-17(18(12-16)24(27)28)23-10-8-22(9-11-23)14-15-4-2-1-3-5-15/h1-7,12,21H,8-11,13-14H2