N-(2-bromanyl-4-fluoranyl-phenyl)-2,4-dinitro-N-propyl-6-(trifluoromethyl)aniline

Systemtic Name: N-(2-bromanyl-4-fluoranyl-phenyl)-2,4-dinitro-N-propyl-6-(trifluoromethyl)aniline Openeye Name: N-(2-bromo-4-fluoro-phenyl)-2,4-dinitro-N-propyl-6-(trifluoromethyl)aniline CAS Name: N-(2-bromo-4-fluorophenyl)-2,4-dinitro-N-propyl-6-(trifluoromethyl)aniline IUPAC Name: N-(2-bromo-4-fluorophenyl)-2,4-dinitro-N-propyl-6-(trifluoromethyl)aniline Traditional Name: (2-bromo-4-fluoro-phenyl)-[2,4-dinitro-6-(trifluoromethyl)phenyl]-propyl-amine Formula: C16H12BrF4N3O4 MolecularWeight: 466.181793

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(C=C(C=C1)F)Br)C2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCN(C1=C(C=C(C=C1)F)Br)C2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12BrF4N3O4/c1-2-5-22(13-4-3-9(18)6-12(13)17)15-11(16(19,20)21)7-10(23(25)26)8-14(15)24(27)28/h3-4,6-8H,2,5H2,1H3