(2-chloranyl-4-nitro-phenyl) 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (2-chloro-4-nitro-phenyl) 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (2-chloro-4-nitro-phenyl) ester Formula: C18H16ClN3O6 MolecularWeight: 405.78914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O6/c19-14-11-13(21(24)25)5-6-17(14)28-18(23)12-7-9-20(10-8-12)15-3-1-2-4-16(15)22(26)27/h1-6,11-12H,7-10H2