ethyl 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]isonipecotic acid ethyl ester Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4/c1-2-26-17(23)14-7-9-20(10-8-14)12-21-11-18-16(19-21)13-3-5-15(6-4-13)22(24)25/h3-6,11,14H,2,7-10,12H2,1H3