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

Systemtic Name: 3-(2,2-dimethyl-3-nitrooxy-propanoyl)-2-oxidanylidene-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(2,2-dimethyl-3-nitrooxy-propanoyl)-2-oxo-thiazolidine-4-carboxylic acid CAS Name: 3-(2,2-dimethyl-3-nitrooxy-1-oxopropyl)-2-oxo-4-thiazolidinecarboxylic acid IUPAC Name: 3-(2,2-dimethyl-3-nitrooxypropanoyl)-2-oxo-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(2,2-dimethyl-3-nitrooxy-propanoyl)-2-keto-thiazolidine-4-carboxylic acid Formula: C9H12N2O7S MolecularWeight: 292.26578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO[N+](=O)[O-])C(=O)N1C(CSC1=O)C(=O)O

Isomeric SMILES

CC(C)(CO[N+](=O)[O-])C(=O)N1C(CSC1=O)C(=O)O

InChI

InChI=1S/C9H12N2O7S/c1-9(2,4-18-11(16)17)7(14)10-5(6(12)13)3-19-8(10)15/h5H,3-4H2,1-2H3,(H,12,13)