(2-chloranyl-4-nitro-phenyl) 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: (2-chloro-4-nitro-phenyl) 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidinecarboxylic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)isonipecotic acid (2-chloro-4-nitro-phenyl) ester Formula: C19H16ClN3O6S MolecularWeight: 449.86484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H16ClN3O6S/c20-15-11-13(23(25)26)5-6-16(15)29-19(24)12-7-9-22(10-8-12)18-14-3-1-2-4-17(14)30(27,28)21-18/h1-6,11-12H,7-10H2