2-(4-nitrophenyl)-3-[4-(4-oxidanyl-4-oxidanylidene-butoxy)butanoyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-(4-nitrophenyl)-3-[4-(4-oxidanyl-4-oxidanylidene-butoxy)butanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[4-(4-hydroxy-4-oxo-butoxy)butanoyl]-2-(4-nitrophenyl)thiazolidine-4-carboxylic acid CAS Name: 3-[4-(4-hydroxy-4-oxobutoxy)-1-oxobutyl]-2-(4-nitrophenyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-[4-(4-hydroxy-4-oxobutoxy)butanoyl]-2-(4-nitrophenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[4-(4-hydroxy-4-keto-butoxy)butanoyl]-2-(4-nitrophenyl)thiazolidine-4-carboxylic acid Formula: C18H22N2O8S MolecularWeight: 426.44088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O8S/c21-15(3-1-9-28-10-2-4-16(22)23)19-14(18(24)25)11-29-17(19)12-5-7-13(8-6-12)20(26)27/h5-8,14,17H,1-4,9-11H2,(H,22,23)(H,24,25)