ethanoic acid; (4-methylphenyl)-[1-methyl-3-(trifluoromethyl)pyrrol-2-yl]methanone

Systemtic Name: ethanoic acid; (4-methylphenyl)-[1-methyl-3-(trifluoromethyl)pyrrol-2-yl]methanone Openeye Name: acetic acid; [1-methyl-3-(trifluoromethyl)pyrrol-2-yl]-(p-tolyl)methanone CAS Name: acetic acid; (4-methylphenyl)-[1-methyl-3-(trifluoromethyl)-2-pyrrolyl]methanone IUPAC Name: acetic acid; (4-methylphenyl)-[1-methyl-3-(trifluoromethyl)pyrrol-2-yl]methanone Traditional Name: acetic acid; [1-methyl-3-(trifluoromethyl)pyrrol-2-yl]-(p-tolyl)methanone Formula: C16H16F3NO3 MolecularWeight: 327.29835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C=CN2C)C(F)(F)F.CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C=CN2C)C(F)(F)F.CC(=O)O

InChI

InChI=1S/C14H12F3NO.C2H4O2/c1-9-3-5-10(6-4-9)13(19)12-11(14(15,16)17)7-8-18(12)2;1-2(3)4/h3-8H,1-2H3;1H3,(H,3,4)