5-nitro-2-(4-oxidanylidenepentanoyloxymethyl)benzoic acid

Systemtic Name: 5-nitro-2-(4-oxidanylidenepentanoyloxymethyl)benzoic acid Openeye Name: 5-nitro-2-(4-oxopentanoyloxymethyl)benzoic acid CAS Name: 2-(1,4-dioxopentoxymethyl)-5-nitrobenzoic acid IUPAC Name: 5-nitro-2-(4-oxopentanoyloxymethyl)benzoic acid Traditional Name: 2-(4-ketopentanoyloxymethyl)-5-nitro-benzoic acid Formula: C13H13NO7 MolecularWeight: 295.24482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OCC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)CCC(=O)OCC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H13NO7/c1-8(15)2-5-12(16)21-7-9-3-4-10(14(19)20)6-11(9)13(17)18/h3-4,6H,2,5,7H2,1H3,(H,17,18)