2-[3-(2-nitrooxyethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-[3-(2-nitrooxyethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-[3-(2-nitrooxyethoxy)phenyl]thiazolidine-4-carboxylic acid CAS Name: 2-[3-(2-nitrooxyethoxy)phenyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-[3-(2-nitrooxyethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-[3-(2-nitrooxyethoxy)phenyl]thiazolidine-4-carboxylic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(S1)C2=CC(=CC=C2)OCCO[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C(NC(S1)C2=CC(=CC=C2)OCCO[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H14N2O6S/c15-12(16)10-7-21-11(13-10)8-2-1-3-9(6-8)19-4-5-20-14(17)18/h1-3,6,10-11,13H,4-5,7H2,(H,15,16)