N-[(2S)-butan-2-yl]-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: N-[(2S)-butan-2-yl]-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-[(1S)-1-methylpropyl]-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-[(2S)-butan-2-yl]-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-[(2S)-butan-2-yl]-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-[(1S)-1-methylpropyl]amine Formula: C11H12F3N3O4 MolecularWeight: 307.22589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12F3N3O4/c1-3-6(2)15-10-8(16(18)19)4-7(11(12,13)14)5-9(10)17(20)21/h4-6,15H,3H2,1-2H3/t6-/m0/s1