[2-(4-nitroimidazol-1-yl)-2-phenyl-ethyl] 4-methylpiperidine-1-carboxylate

Systemtic Name: [2-(4-nitroimidazol-1-yl)-2-phenyl-ethyl] 4-methylpiperidine-1-carboxylate Openeye Name: [2-(4-nitroimidazol-1-yl)-2-phenyl-ethyl] 4-methylpiperidine-1-carboxylate CAS Name: 4-methyl-1-piperidinecarboxylic acid [2-(4-nitro-1-imidazolyl)-2-phenylethyl] ester IUPAC Name: [2-(4-nitroimidazol-1-yl)-2-phenylethyl] 4-methylpiperidine-1-carboxylate Traditional Name: 4-methylpiperidine-1-carboxylic acid [2-(4-nitroimidazol-1-yl)-2-phenyl-ethyl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)OCC(C2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)OCC(C2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4/c1-14-7-9-20(10-8-14)18(23)26-12-16(15-5-3-2-4-6-15)21-11-17(19-13-21)22(24)25/h2-6,11,13-14,16H,7-10,12H2,1H3