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

Systemtic Name: [4-bromanyl-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl 2-nitrobenzoate Openeye Name: [4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic 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-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl ester Formula: C20H10BrClF3N3O4 MolecularWeight: 528.66331

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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+](=O)[O-]

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+](=O)[O-]

InChI

InChI=1S/C20H10BrClF3N3O4/c21-16-14(9-26)17(11-5-7-12(22)8-6-11)27(18(16)20(23,24)25)10-32-19(29)13-3-1-2-4-15(13)28(30)31/h1-8H,10H2