tert-butyl N-methyl-N-[(3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamate

Systemtic Name: tert-butyl N-methyl-N-[(3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamate Openeye Name: tert-butyl N-methyl-N-[(3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]-3-piperidyl]carbamate CAS Name: N-methyl-N-[(3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]-3-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-methyl-N-[(3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamate Traditional Name: N-methyl-N-[(3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]-3-piperidyl]carbamic acid tert-butyl ester Formula: C18H24F3N3O4 MolecularWeight: 403.39607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)C1CCCN(C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N(C)[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H24F3N3O4/c1-17(2,3)28-16(25)22(4)13-6-5-9-23(11-13)14-8-7-12(18(19,20)21)10-15(14)24(26)27/h7-8,10,13H,5-6,9,11H2,1-4H3/t13-/m0/s1