5-nitro-2-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]benzoic acid

Systemtic Name: 5-nitro-2-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]benzoic acid Openeye Name: 5-nitro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid CAS Name: 5-nitro-2-[2-(2-oxo-1-imidazolidinyl)ethoxy]benzoic acid IUPAC Name: 5-nitro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid Traditional Name: 2-[2-(2-ketoimidazolidin-1-yl)ethoxy]-5-nitro-benzoic acid Formula: C12H13N3O6 MolecularWeight: 295.24812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1)CCOC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CN(C(=O)N1)CCOC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H13N3O6/c16-11(17)9-7-8(15(19)20)1-2-10(9)21-6-5-14-4-3-13-12(14)18/h1-2,7H,3-6H2,(H,13,18)(H,16,17)