N-(3-methylbutyl)-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-(3-methylbutyl)-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-isopentyl-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-(3-methylbutyl)-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-(3-methylbutyl)-2-nitro-4-(trifluoromethyl)aniline Traditional Name: isoamyl-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C12H15F3N2O2 MolecularWeight: 276.25491

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H15F3N2O2/c1-8(2)5-6-16-10-4-3-9(12(13,14)15)7-11(10)17(18)19/h3-4,7-8,16H,5-6H2,1-2H3