3,5-dinitro-N-[(2S)-1,1,1-tris(fluoranyl)butan-2-yl]benzamide

Systemtic Name: 3,5-dinitro-N-[(2S)-1,1,1-tris(fluoranyl)butan-2-yl]benzamide Openeye Name: 3,5-dinitro-N-[(1S)-1-(trifluoromethyl)propyl]benzamide CAS Name: 3,5-dinitro-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzamide IUPAC Name: 3,5-dinitro-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzamide Traditional Name: 3,5-dinitro-N-[(1S)-1-(trifluoromethyl)propyl]benzamide Formula: C11H10F3N3O5 MolecularWeight: 321.20941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10F3N3O5/c1-2-9(11(12,13)14)15-10(18)6-3-7(16(19)20)5-8(4-6)17(21)22/h3-5,9H,2H2,1H3,(H,15,18)/t9-/m0/s1