3-nitro-4-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]benzoic acid

Systemtic Name: 3-nitro-4-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]benzoic acid Openeye Name: 3-nitro-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid CAS Name: 3-nitro-4-[2-(2-oxo-1-imidazolidinyl)ethoxy]benzoic acid IUPAC Name: 3-nitro-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid Traditional Name: 4-[2-(2-ketoimidazolidin-1-yl)ethoxy]-3-nitro-benzoic acid Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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