2-(2,2-dimethyl-3-nitrooxy-propanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-(2,2-dimethyl-3-nitrooxy-propanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-(2,2-dimethyl-3-nitrooxy-propanoyl)-2-phenyl-thiazolidine-4-carboxylic acid CAS Name: 2-(2,2-dimethyl-3-nitrooxy-1-oxopropyl)-2-phenyl-4-thiazolidinecarboxylic acid IUPAC Name: 2-(2,2-dimethyl-3-nitrooxypropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-(2,2-dimethyl-3-nitrooxy-propanoyl)-2-phenyl-thiazolidine-4-carboxylic acid Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO[N+](=O)[O-])C(=O)C1(NC(CS1)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(CO[N+](=O)[O-])C(=O)C1(NC(CS1)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C15H18N2O6S/c1-14(2,9-23-17(21)22)13(20)15(10-6-4-3-5-7-10)16-11(8-24-15)12(18)19/h3-7,11,16H,8-9H2,1-2H3,(H,18,19)