N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-3-(trifluoromethyl)aniline

Systemtic Name: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-3-(trifluoromethyl)aniline Openeye Name: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-3-(trifluoromethyl)aniline CAS Name: N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-3-(trifluoromethyl)aniline IUPAC Name: N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-3-(trifluoromethyl)aniline Traditional Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl-[3-(trifluoromethyl)phenyl]amine Formula: C13H13F3N4O2 MolecularWeight: 314.26313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H13F3N4O2/c1-9-18-8-12(20(21)22)19(9)6-5-17-11-4-2-3-10(7-11)13(14,15)16/h2-4,7-8,17H,5-6H2,1H3