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

Systemtic Name: 3-azido-2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline Openeye Name: 3-azido-2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline CAS Name: 3-azido-2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline IUPAC Name: 3-azido-2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline Traditional Name: amyl-[3-azido-2,6-dinitro-4-(trifluoromethyl)phenyl]amine Formula: C12H13F3N6O4 MolecularWeight: 362.26463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3N6O4/c1-2-3-4-5-17-10-8(20(22)23)6-7(12(13,14)15)9(18-19-16)11(10)21(24)25/h6,17H,2-5H2,1H3