2-[4-[2-(2-nitrooxyethylamino)-2-oxidanylidene-ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-[4-[2-(2-nitrooxyethylamino)-2-oxidanylidene-ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-[4-[2-(2-nitrooxyethylamino)-2-oxo-ethoxy]phenyl]thiazolidine-4-carboxylic acid CAS Name: 2-[4-[2-(2-nitrooxyethylamino)-2-oxoethoxy]phenyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-[4-[2-(2-nitrooxyethylamino)-2-oxoethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-[4-[2-keto-2-(2-nitrooxyethylamino)ethoxy]phenyl]thiazolidine-4-carboxylic acid Formula: C14H17N3O7S MolecularWeight: 371.36568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O7S/c18-12(15-5-6-24-17(21)22)7-23-10-3-1-9(2-4-10)13-16-11(8-25-13)14(19)20/h1-4,11,13,16H,5-8H2,(H,15,18)(H,19,20)