N-(3-imidazol-1-ylpropyl)-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-(3-imidazol-1-ylpropyl)-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-[3-(1-imidazolyl)propyl]-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-(3-imidazol-1-ylpropyl)-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-(3-imidazol-1-ylpropyl)amine Formula: C13H12F3N5O4 MolecularWeight: 359.26069

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=N1)CCCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H12F3N5O4/c14-13(15,16)9-6-10(20(22)23)12(11(7-9)21(24)25)18-2-1-4-19-5-3-17-8-19/h3,5-8,18H,1-2,4H2