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

Systemtic Name: N-(1-bromoethyl)-N-(1-methoxyethyl)-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-(1-bromoethyl)-N-(1-methoxyethyl)-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-(1-bromoethyl)-N-(1-methoxyethyl)-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-(1-bromoethyl)-N-(1-methoxyethyl)-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: 1-bromoethyl-[2,6-dinitro-4-(trifluoromethyl)phenyl]-(1-methoxyethyl)amine Formula: C12H13BrF3N3O5 MolecularWeight: 416.14793

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrF3N3O5/c1-6(13)17(7(2)24-3)11-9(18(20)21)4-8(12(14,15)16)5-10(11)19(22)23/h4-7H,1-3H3