1,3-benzothiazol-2-ylmethyl 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3S2)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3S2)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c24-20(27-13-19-21-15-5-1-4-8-18(15)28-19)14-9-11-22(12-10-14)16-6-2-3-7-17(16)23(25)26/h1-8,14H,9-13H2