N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: 2-chloroethyl-[2,6-dinitro-4-(trifluoromethyl)phenyl]amine Formula: C9H7ClF3N3O4 MolecularWeight: 313.61779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7ClF3N3O4/c10-1-2-14-8-6(15(17)18)3-5(9(11,12)13)4-7(8)16(19)20/h3-4,14H,1-2H2