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

Systemtic Name: 2-[5-nitro-2-(2-nitrooxyethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-[5-nitro-2-(2-nitrooxyethoxy)phenyl]thiazolidine-4-carboxylic acid CAS Name: 2-[5-nitro-2-(2-nitrooxyethoxy)phenyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-[5-nitro-2-(2-nitrooxyethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-[5-nitro-2-(2-nitrooxyethoxy)phenyl]thiazolidine-4-carboxylic acid Formula: C12H13N3O8S MolecularWeight: 359.31192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O8S/c16-12(17)9-6-24-11(13-9)8-5-7(14(18)19)1-2-10(8)22-3-4-23-15(20)21/h1-2,5,9,11,13H,3-4,6H2,(H,16,17)