1-nitro-4-[[(2S)-3-(trifluoromethyl)but-3-en-2-yl]oxymethyl]benzene

Systemtic Name: 1-nitro-4-[[(2S)-3-(trifluoromethyl)but-3-en-2-yl]oxymethyl]benzene Openeye Name: 1-[[(1S)-1-methyl-2-(trifluoromethyl)allyloxy]methyl]-4-nitro-benzene CAS Name: 1-nitro-4-[[(2S)-3-(trifluoromethyl)but-3-en-2-yl]oxymethyl]benzene IUPAC Name: 1-nitro-4-[[(2S)-3-(trifluoromethyl)but-3-en-2-yl]oxymethyl]benzene Traditional Name: 1-[[(1S)-1-methyl-2-(trifluoromethyl)allyloxy]methyl]-4-nitro-benzene Formula: C12H12F3NO3 MolecularWeight: 275.22379

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C)C(F)(F)F)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=C)C(F)(F)F)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H12F3NO3/c1-8(12(13,14)15)9(2)19-7-10-3-5-11(6-4-10)16(17)18/h3-6,9H,1,7H2,2H3/t9-/m0/s1