ethanoyl ethanoate; 3-fluoranyl-4-(trifluoromethyl)aniline

Systemtic Name: ethanoyl ethanoate; 3-fluoranyl-4-(trifluoromethyl)aniline Openeye Name: acetyl acetate; 3-fluoro-4-(trifluoromethyl)aniline CAS Name: acetic acid acetyl ester; 3-fluoro-4-(trifluoromethyl)aniline IUPAC Name: acetyl acetate; 3-fluoro-4-(trifluoromethyl)aniline Traditional Name: acetic acid acetyl ester; [3-fluoro-4-(trifluoromethyl)phenyl]amine Formula: C18H16F8N2O3 MolecularWeight: 460.318466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(=O)C.C1=CC(=C(C=C1N)F)C(F)(F)F.C1=CC(=C(C=C1N)F)C(F)(F)F

Isomeric SMILES

CC(=O)OC(=O)C.C1=CC(=C(C=C1N)F)C(F)(F)F.C1=CC(=C(C=C1N)F)C(F)(F)F

InChI

InChI=1S/2C7H5F4N.C4H6O3/c2*8-6-3-4(12)1-2-5(6)7(9,10)11;1-3(5)7-4(2)6/h2*1-3H,12H2;1-2H3