(5-chloranyl-1-methyl-imidazol-2-yl)methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C18H18ClF3N4O4 MolecularWeight: 446.80813

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClF3N4O4/c1-24-15(19)9-23-16(24)10-30-17(27)11-4-6-25(7-5-11)13-3-2-12(18(20,21)22)8-14(13)26(28)29/h2-3,8-9,11H,4-7,10H2,1H3