2-(4-nitrophenyl)-3-(7-oxidanyl-7-oxidanylidene-heptanoyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-(4-nitrophenyl)-3-(7-oxidanyl-7-oxidanylidene-heptanoyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(7-hydroxy-7-oxo-heptanoyl)-2-(4-nitrophenyl)thiazolidine-4-carboxylic acid CAS Name: 3-(7-hydroxy-1,7-dioxoheptyl)-2-(4-nitrophenyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-(7-hydroxy-7-oxoheptanoyl)-2-(4-nitrophenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(7-hydroxy-7-keto-heptanoyl)-2-(4-nitrophenyl)thiazolidine-4-carboxylic acid Formula: C17H20N2O7S MolecularWeight: 396.4149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O7S/c20-14(4-2-1-3-5-15(21)22)18-13(17(23)24)10-27-16(18)11-6-8-12(9-7-11)19(25)26/h6-9,13,16H,1-5,10H2,(H,21,22)(H,23,24)