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

Systemtic Name: [4-bromanyl-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl 3-methoxybenzoate Openeye Name: [4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl 3-methoxybenzoate CAS Name: 3-methoxybenzoic 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-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl ester Formula: C21H13BrClF3N2O3 MolecularWeight: 513.69173

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OCN2C(=C(C(=C2C(F)(F)F)Br)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OCN2C(=C(C(=C2C(F)(F)F)Br)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H13BrClF3N2O3/c1-30-15-4-2-3-13(9-15)20(29)31-11-28-18(12-5-7-14(23)8-6-12)16(10-27)17(22)19(28)21(24,25)26/h2-9H,11H2,1H3