3-chloranyl-N-methyl-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: 3-chloranyl-N-methyl-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: 3-chloro-N-methyl-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: 3-chloro-N-methyl-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: 3-chloro-N-methyl-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: [3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-methyl-amine Formula: C8H5ClF3N3O4 MolecularWeight: 299.59121

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C8H5ClF3N3O4/c1-13-6-4(14(16)17)2-3(8(10,11)12)5(9)7(6)15(18)19/h2,13H,1H3