(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (1-propyltetrazol-5-yl)methyl ester Formula: C17H22N6O4 MolecularWeight: 374.39438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O4/c1-2-9-22-16(18-19-20-22)12-27-17(24)13-7-10-21(11-8-13)14-5-3-4-6-15(14)23(25)26/h3-6,13H,2,7-12H2,1H3