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

Systemtic Name: [4-bromanyl-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl 2-azanylbenzoate Openeye Name: [4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl 2-aminobenzoate CAS Name: 2-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 2-aminobenzoate Traditional Name: 2-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=C(C(=C1)C(=O)OCN2C(=C(C(=C2C(F)(F)F)Br)C#N)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

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

InChI

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