N-(1-bromoethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline

Systemtic Name: N-(1-bromoethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline Openeye Name: N-(1-bromoethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline CAS Name: N-(1-bromoethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline IUPAC Name: N-(1-bromoethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline Traditional Name: 1-bromoethyl-[2,6-dinitro-4-(trifluoromethyl)phenyl]-propyl-amine Formula: C12H13BrF3N3O4 MolecularWeight: 400.14853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrF3N3O4/c1-3-4-17(7(2)13)11-9(18(20)21)5-8(12(14,15)16)6-10(11)19(22)23/h5-7H,3-4H2,1-2H3