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

Systemtic Name: 1-(4-nitro-1,3-benzothiazol-5-yl)piperidine-2-carboxylic acid Openeye Name: 1-(4-nitro-1,3-benzothiazol-5-yl)piperidine-2-carboxylic acid CAS Name: 1-(4-nitro-1,3-benzothiazol-5-yl)-2-piperidinecarboxylic acid IUPAC Name: 1-(4-nitro-1,3-benzothiazol-5-yl)piperidine-2-carboxylic acid Traditional Name: 1-(4-nitro-1,3-benzothiazol-5-yl)pipecolinic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C2=C(C3=C(C=C2)SC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C2=C(C3=C(C=C2)SC=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c17-13(18)9-3-1-2-6-15(9)8-4-5-10-11(14-7-21-10)12(8)16(19)20/h4-5,7,9H,1-3,6H2,(H,17,18)