2,4-dinitro-N1-propyl-6-(trifluoromethyl)benzene-1,3-diamine

Systemtic Name: 2,4-dinitro-N1-propyl-6-(trifluoromethyl)benzene-1,3-diamine Openeye Name: 2,4-dinitro-N1-propyl-6-(trifluoromethyl)benzene-1,3-diamine CAS Name: 2,4-dinitro-N1-propyl-6-(trifluoromethyl)benzene-1,3-diamine IUPAC Name: 2,4-dinitro-1-N-propyl-6-(trifluoromethyl)benzene-1,3-diamine Traditional Name: [3-amino-2,4-dinitro-6-(trifluoromethyl)phenyl]-propyl-amine Formula: C10H11F3N4O4 MolecularWeight: 308.21395

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=C(C=C1C(F)(F)F)[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C(=C(C=C1C(F)(F)F)[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C10H11F3N4O4/c1-2-3-15-8-5(10(11,12)13)4-6(16(18)19)7(14)9(8)17(20)21/h4,15H,2-3,14H2,1H3