3,5-dideuterio-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline

Systemtic Name: 3,5-dideuterio-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline Openeye Name: 3,5-dideuterio-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline CAS Name: 3,5-dideuterio-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline IUPAC Name: 3,5-dideuterio-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline Traditional Name: [3,5-dideuterio-2,6-dinitro-4-(trifluoromethyl)phenyl]-dipropyl-amine Formula: C13H16F3N3O4 MolecularWeight: 337.291373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[N+](=O)[O-])N(CCC)CCC)[N+](=O)[O-])[2H])C(F)(F)F

InChI

InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3/i7D,8D