2-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1,3-dioxane-4,6-dione

Systemtic Name: 2-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1,3-dioxane-4,6-dione Openeye Name: 2-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1,3-dioxane-4,6-dione CAS Name: 2-[3-nitro-4-(1-pyrrolidinyl)phenyl]-1,3-dioxane-4,6-dione IUPAC Name: 2-(3-nitro-4-pyrrolidin-1-ylphenyl)-1,3-dioxane-4,6-dione Traditional Name: 2-(3-nitro-4-pyrrolidino-phenyl)-1,3-dioxane-4,6-quinone Formula: C14H14N2O6 MolecularWeight: 306.27076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C3OC(=O)CC(=O)O3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C3OC(=O)CC(=O)O3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O6/c17-12-8-13(18)22-14(21-12)9-3-4-10(11(7-9)16(19)20)15-5-1-2-6-15/h3-4,7,14H,1-2,5-6,8H2