3-nitro-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)benzoic acid

Systemtic Name: 3-nitro-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)benzoic acid Openeye Name: 3-nitro-4-(2-oxo-2-pyrrolidin-1-yl-ethoxy)benzoic acid CAS Name: 3-nitro-4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]benzoic acid IUPAC Name: 3-nitro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoic acid Traditional Name: 4-(2-keto-2-pyrrolidino-ethoxy)-3-nitro-benzoic acid Formula: C13H14N2O6 MolecularWeight: 294.26006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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