4-nitro-N-pentan-2-yl-3-(trifluoromethyl)aniline

Systemtic Name: 4-nitro-N-pentan-2-yl-3-(trifluoromethyl)aniline Openeye Name: N-(1-methylbutyl)-4-nitro-3-(trifluoromethyl)aniline CAS Name: 4-nitro-N-pentan-2-yl-3-(trifluoromethyl)aniline IUPAC Name: 4-nitro-N-pentan-2-yl-3-(trifluoromethyl)aniline Traditional Name: 1-methylbutyl-[4-nitro-3-(trifluoromethyl)phenyl]amine Formula: C12H15F3N2O2 MolecularWeight: 276.25491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15F3N2O2/c1-3-4-8(2)16-9-5-6-11(17(18)19)10(7-9)12(13,14)15/h5-8,16H,3-4H2,1-2H3