5-nitro-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)benzoic acid

Systemtic Name: 5-nitro-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)benzoic acid Openeye Name: 5-nitro-2-(2-oxo-2-pyrrolidin-1-yl-ethoxy)benzoic acid CAS Name: 5-nitro-2-[2-oxo-2-(1-pyrrolidinyl)ethoxy]benzoic acid IUPAC Name: 5-nitro-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoic acid Traditional Name: 2-(2-keto-2-pyrrolidino-ethoxy)-5-nitro-benzoic acid Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H14N2O6/c16-12(14-5-1-2-6-14)8-21-11-4-3-9(15(19)20)7-10(11)13(17)18/h3-4,7H,1-2,5-6,8H2,(H,17,18)