(2-chloranyl-4-nitro-phenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Openeye Name: (2-chloro-4-nitro-phenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate CAS Name: 1-(1,3-benzoxazol-2-yl)-4-piperidinecarboxylic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzoxazol-2-yl)isonipecotic acid (2-chloro-4-nitro-phenyl) ester Formula: C19H16ClN3O5 MolecularWeight: 401.80044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCC1C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H16ClN3O5/c20-14-11-13(23(25)26)5-6-16(14)27-18(24)12-7-9-22(10-8-12)19-21-15-3-1-2-4-17(15)28-19/h1-6,11-12H,7-10H2