2,6-dinitro-N-pentan-3-yl-4-(trifluoromethyl)aniline

Systemtic Name: 2,6-dinitro-N-pentan-3-yl-4-(trifluoromethyl)aniline Openeye Name: N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: 2,6-dinitro-N-pentan-3-yl-4-(trifluoromethyl)aniline IUPAC Name: 2,6-dinitro-N-pentan-3-yl-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-(1-ethylpropyl)amine Formula: C12H14F3N3O4 MolecularWeight: 321.25247

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H14F3N3O4/c1-3-8(4-2)16-11-9(17(19)20)5-7(12(13,14)15)6-10(11)18(21)22/h5-6,8,16H,3-4H2,1-2H3