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

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

Systemtic Name:tert-butyl N-[(3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamate
Openeye Name:tert-butyl N-[(3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]-3-piperidyl]carbamate
CAS Name:N-[(3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]-3-piperidinyl]carbamic acid tert-butyl ester
IUPAC Name:tert-butyl N-[(3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamate
Traditional Name:N-[(3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]-3-piperidyl]carbamic acid tert-butyl ester
Formula: C17H22F3N3O4
MolecularWeight: 389.36949
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCN(C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]


Isomeric SMILES

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


InChI

InChI=1S/C17H22F3N3O4/c1-16(2,3)27-15(24)21-12-5-4-8-22(10-12)13-7-6-11(17(18,19)20)9-14(13)23(25)26/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,21,24)/t12-/m0/s1


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