N-[2-bromanyl-5-(trifluoromethyl)phenyl]-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-[2-bromanyl-5-(trifluoromethyl)phenyl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methyl-3,5-dinitro-benzamide Formula: C15H9BrF3N3O5 MolecularWeight: 448.14827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9BrF3N3O5/c1-7-12(21(24)25)4-8(5-13(7)22(26)27)14(23)20-11-6-9(15(17,18)19)2-3-10(11)16/h2-6H,1H3,(H,20,23)