(2S)-N-ethyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide

Systemtic Name: (2S)-N-ethyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Openeye Name: (2S)-N-ethyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide CAS Name: (2S)-N-ethyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]propanamide IUPAC Name: (2S)-N-ethyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Traditional Name: (2S)-N-ethyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]propionamide Formula: C16H21F3N4O3 MolecularWeight: 374.35815

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)[C@H](C)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H21F3N4O3/c1-3-20-15(24)11(2)21-6-8-22(9-7-21)13-5-4-12(16(17,18)19)10-14(13)23(25)26/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,24)/t11-/m0/s1