N-hexan-2-yl-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-hexan-2-yl-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-(1-methylpentyl)-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-hexan-2-yl-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-hexan-2-yl-2-nitro-4-(trifluoromethyl)aniline Traditional Name: 1-methylpentyl-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C13H17F3N2O2 MolecularWeight: 290.28149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17F3N2O2/c1-3-4-5-9(2)17-11-7-6-10(13(14,15)16)8-12(11)18(19)20/h6-9,17H,3-5H2,1-2H3