5-[(1-methylcyclopropyl)methyl]-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine

Systemtic Name: 5-[(1-methylcyclopropyl)methyl]-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine Openeye Name: 5-[(1-methylcyclopropyl)methyl]-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine CAS Name: 5-[(1-methylcyclopropyl)methyl]-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine IUPAC Name: 5-[(1-methylcyclopropyl)methyl]-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine Traditional Name: [3-amino-5-[(1-methylcyclopropyl)methyl]-2,4-dinitro-6-(trifluoromethyl)phenyl]amine Formula: C12H13F3N4O4 MolecularWeight: 334.25123

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)CC2=C(C(=C(C(=C2[N+](=O)[O-])N)[N+](=O)[O-])N)C(F)(F)F

Isomeric SMILES

CC1(CC1)CC2=C(C(=C(C(=C2[N+](=O)[O-])N)[N+](=O)[O-])N)C(F)(F)F

InChI

InChI=1S/C12H13F3N4O4/c1-11(2-3-11)4-5-6(12(13,14)15)7(16)10(19(22)23)8(17)9(5)18(20)21/h2-4,16-17H2,1H3