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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-3-chloranyl-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-(2-bromo-4-methyl-phenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-(2-bromo-4-methylphenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-(2-bromo-4-methylphenyl)-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: (2-bromo-4-methyl-phenyl)-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]amine Formula: C14H8BrClF3N3O4 MolecularWeight: 454.58323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])Br

InChI

InChI=1S/C14H8BrClF3N3O4/c1-6-2-3-9(8(15)4-6)20-12-10(21(23)24)5-7(14(17,18)19)11(16)13(12)22(25)26/h2-5,20H,1H3