3-bromanyl-N,N-diethyl-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: 3-bromanyl-N,N-diethyl-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: 3-bromo-N,N-diethyl-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: 3-bromo-N,N-diethyl-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: 3-bromo-N,N-diethyl-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: [3-bromo-2,6-dinitro-4-(trifluoromethyl)phenyl]-diethyl-amine Formula: C11H11BrF3N3O4 MolecularWeight: 386.12195

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C(=C1[N+](=O)[O-])Br)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=C(C=C(C(=C1[N+](=O)[O-])Br)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H11BrF3N3O4/c1-3-16(4-2)9-7(17(19)20)5-6(11(13,14)15)8(12)10(9)18(21)22/h5H,3-4H2,1-2H3