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

Systemtic Name: 2-[4-(2-nitrooxyethylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-[4-(2-nitrooxyethylcarbamoyl)phenyl]thiazolidine-4-carboxylic acid CAS Name: 2-[4-[(2-nitrooxyethylamino)-oxomethyl]phenyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-[4-(2-nitrooxyethylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-[4-(2-nitrooxyethylcarbamoyl)phenyl]thiazolidine-4-carboxylic acid Formula: C13H15N3O6S MolecularWeight: 341.3397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O6S/c17-11(14-5-6-22-16(20)21)8-1-3-9(4-2-8)12-15-10(7-23-12)13(18)19/h1-4,10,12,15H,5-7H2,(H,14,17)(H,18,19)