N-cyclopropyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propane-1,3-diamine

Systemtic Name: N-cyclopropyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propane-1,3-diamine Openeye Name: N-cyclopropyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propane-1,3-diamine CAS Name: N-cyclopropyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propane-1,3-diamine IUPAC Name: N-cyclopropyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propane-1,3-diamine Traditional Name: cyclopropyl-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]amine Formula: C13H16F3N3O2 MolecularWeight: 303.28025

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1NCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H16F3N3O2/c14-13(15,16)9-2-5-11(12(8-9)19(20)21)18-7-1-6-17-10-3-4-10/h2,5,8,10,17-18H,1,3-4,6-7H2