3-chloranyl-2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline

Systemtic Name: 3-chloranyl-2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline Openeye Name: 3-chloro-2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline CAS Name: 3-chloro-2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline IUPAC Name: 3-chloro-2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline Traditional Name: amyl-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]amine Formula: C12H13ClF3N3O4 MolecularWeight: 355.69753

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H13ClF3N3O4/c1-2-3-4-5-17-10-8(18(20)21)6-7(12(14,15)16)9(13)11(10)19(22)23/h6,17H,2-5H2,1H3