(4-cyanophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (4-cyanobenzyl) ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4/c21-13-15-5-7-16(8-6-15)14-27-20(24)17-9-11-22(12-10-17)18-3-1-2-4-19(18)23(25)26/h1-8,17H,9-12,14H2