(6-chloranylpyridin-3-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (6-chloro-3-pyridyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (6-chloro-3-pyridyl)methyl ester Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CN=C(C=C2)Cl)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CN=C(C=C2)Cl)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O4/c19-17-6-5-13(11-20-17)12-26-18(23)14-7-9-21(10-8-14)15-3-1-2-4-16(15)22(24)25/h1-6,11,14H,7-10,12H2