1-(4-nitro-1,3-benzothiazol-5-yl)-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4-nitro-1,3-benzothiazol-5-yl)-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-hydroxy-1-(4-nitro-1,3-benzothiazol-5-yl)pyrrolidine-2-carboxylic acid CAS Name: 4-hydroxy-1-(4-nitro-1,3-benzothiazol-5-yl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-hydroxy-1-(4-nitro-1,3-benzothiazol-5-yl)pyrrolidine-2-carboxylic acid Traditional Name: 4-hydroxy-1-(4-nitro-1,3-benzothiazol-5-yl)proline Formula: C12H11N3O5S MolecularWeight: 309.29784

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C2=C(C3=C(C=C2)SC=N3)[N+](=O)[O-])O

Isomeric SMILES

C1C(CN(C1C(=O)O)C2=C(C3=C(C=C2)SC=N3)[N+](=O)[O-])O

InChI

InChI=1S/C12H11N3O5S/c16-6-3-8(12(17)18)14(4-6)7-1-2-9-10(13-5-21-9)11(7)15(19)20/h1-2,5-6,8,16H,3-4H2,(H,17,18)