[4-bromanyl-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl 3-methylbutanoate

Systemtic Name: [4-bromanyl-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl 3-methylbutanoate Openeye Name: [4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid [4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)-1-pyrrolyl]methyl ester IUPAC Name: [4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid [4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl ester Formula: C18H15BrClF3N2O2 MolecularWeight: 463.67611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CC(=O)OCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H15BrClF3N2O2/c1-10(2)7-14(26)27-9-25-16(11-3-5-12(20)6-4-11)13(8-24)15(19)17(25)18(21,22)23/h3-6,10H,7,9H2,1-2H3