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

Systemtic Name: [4-bromanyl-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl 4-azanylbenzoate Openeye Name: [4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl 4-aminobenzoate CAS Name: 4-aminobenzoic 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 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl ester Formula: C20H12BrClF3N3O2 MolecularWeight: 498.68039

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=C(N2COC(=O)C3=CC=C(C=C3)N)C(F)(F)F)Br)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=C(N2COC(=O)C3=CC=C(C=C3)N)C(F)(F)F)Br)C#N)Cl

InChI

InChI=1S/C20H12BrClF3N3O2/c21-16-15(9-26)17(11-1-5-13(22)6-2-11)28(18(16)20(23,24)25)10-30-19(29)12-3-7-14(27)8-4-12/h1-8H,10,27H2