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

Systemtic Name: 1-(4-nitro-1,3-benzothiazol-5-yl)piperidine-4-carboxylic acid Openeye Name: 1-(4-nitro-1,3-benzothiazol-5-yl)piperidine-4-carboxylic acid CAS Name: 1-(4-nitro-1,3-benzothiazol-5-yl)-4-piperidinecarboxylic acid IUPAC Name: 1-(4-nitro-1,3-benzothiazol-5-yl)piperidine-4-carboxylic acid Traditional Name: 1-(4-nitro-1,3-benzothiazol-5-yl)isonipecotic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C3=C(C=C2)SC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C3=C(C=C2)SC=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c17-13(18)8-3-5-15(6-4-8)9-1-2-10-11(14-7-21-10)12(9)16(19)20/h1-2,7-8H,3-6H2,(H,17,18)