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

Systemtic Name: 1-(4-nitro-1,3-benzothiazol-5-yl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-nitro-1,3-benzothiazol-5-yl)pyrrolidine-2-carboxylic acid CAS Name: 1-(4-nitro-1,3-benzothiazol-5-yl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-nitro-1,3-benzothiazol-5-yl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(4-nitro-1,3-benzothiazol-5-yl)proline Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C3=C(C=C2)SC=N3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(N(C1)C2=C(C3=C(C=C2)SC=N3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H11N3O4S/c16-12(17)8-2-1-5-14(8)7-3-4-9-10(13-6-20-9)11(7)15(18)19/h3-4,6,8H,1-2,5H2,(H,16,17)