1,1,1-tris(fluoranyl)-4-(4-methylphenyl)-5-nitro-pentan-2-one

Systemtic Name: 1,1,1-tris(fluoranyl)-4-(4-methylphenyl)-5-nitro-pentan-2-one Openeye Name: 1,1,1-trifluoro-5-nitro-4-(p-tolyl)pentan-2-one CAS Name: 1,1,1-trifluoro-4-(4-methylphenyl)-5-nitro-2-pentanone IUPAC Name: 1,1,1-trifluoro-4-(4-methylphenyl)-5-nitropentan-2-one Traditional Name: 1,1,1-trifluoro-5-nitro-4-(p-tolyl)pentan-2-one Formula: C12H12F3NO3 MolecularWeight: 275.22379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)C(F)(F)F)C[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)C(F)(F)F)C[N+](=O)[O-]

InChI

InChI=1S/C12H12F3NO3/c1-8-2-4-9(5-3-8)10(7-16(18)19)6-11(17)12(13,14)15/h2-5,10H,6-7H2,1H3