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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (1-butyltetrazol-5-yl)methyl ester Formula: C18H24N6O4 MolecularWeight: 388.42096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O4/c1-2-3-10-23-17(19-20-21-23)13-28-18(25)14-8-11-22(12-9-14)15-6-4-5-7-16(15)24(26)27/h4-7,14H,2-3,8-13H2,1H3