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

Systemtic Name: 2-[3-bromanyl-5-methoxy-4-(2-nitrooxyethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-[3-bromo-5-methoxy-4-(2-nitrooxyethoxy)phenyl]thiazolidine-4-carboxylic acid CAS Name: 2-[3-bromo-5-methoxy-4-(2-nitrooxyethoxy)phenyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-[3-bromo-5-methoxy-4-(2-nitrooxyethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-[3-bromo-5-methoxy-4-(2-nitrooxyethoxy)phenyl]thiazolidine-4-carboxylic acid Formula: C13H15BrN2O7S MolecularWeight: 423.2364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN2O7S/c1-21-10-5-7(12-15-9(6-24-12)13(17)18)4-8(14)11(10)22-2-3-23-16(19)20/h4-5,9,12,15H,2-3,6H2,1H3,(H,17,18)