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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=CC=C2C#N)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=CC=C2C#N)C3=CC=CC=C3[N+](=O)[O-]

InChI

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