2-[3,5-dimethoxy-2-(2-nitrooxyethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-[3,5-dimethoxy-2-(2-nitrooxyethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-[3,5-dimethoxy-2-(2-nitrooxyethoxy)phenyl]thiazolidine-4-carboxylic acid CAS Name: 2-[3,5-dimethoxy-2-(2-nitrooxyethoxy)phenyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-[3,5-dimethoxy-2-(2-nitrooxyethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-[3,5-dimethoxy-2-(2-nitrooxyethoxy)phenyl]thiazolidine-4-carboxylic acid Formula: C14H18N2O8S MolecularWeight: 374.36632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C2NC(CS2)C(=O)O)OCCO[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C(=C1)C2NC(CS2)C(=O)O)OCCO[N+](=O)[O-])OC

InChI

InChI=1S/C14H18N2O8S/c1-21-8-5-9(13-15-10(7-25-13)14(17)18)12(11(6-8)22-2)23-3-4-24-16(19)20/h5-6,10,13,15H,3-4,7H2,1-2H3,(H,17,18)