ethyl 1-[2-(4-chlorophenyl)-5-nitro-3-oxidanidyl-1,2,3-triazol-3-ium-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-chlorophenyl)-5-nitro-3-oxidanidyl-1,2,3-triazol-3-ium-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-chlorophenyl)-5-nitro-3-oxido-triazol-3-ium-4-yl]piperidine-4-carboxylate CAS Name: 1-[2-(4-chlorophenyl)-5-nitro-3-oxido-4-triazol-3-iumyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chlorophenyl)-5-nitro-3-oxidotriazol-3-ium-4-yl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-chlorophenyl)-5-nitro-3-oxido-triazol-3-ium-4-yl]isonipecotic acid ethyl ester Formula: C16H18ClN5O5 MolecularWeight: 395.79762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=[N+](N(N=C2[N+](=O)[O-])C3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=[N+](N(N=C2[N+](=O)[O-])C3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C16H18ClN5O5/c1-2-27-16(23)11-7-9-19(10-8-11)15-14(22(25)26)18-20(21(15)24)13-5-3-12(17)4-6-13/h3-6,11H,2,7-10H2,1H3