[4-(2,5-dimethylpyrrol-1-yl)phenyl] 2-bromanylbenzoate

Systemtic Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl] 2-bromanylbenzoate Openeye Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-(2,5-dimethyl-1-pyrrolyl)phenyl] ester IUPAC Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-(2,5-dimethylpyrrol-1-yl)phenyl] ester Formula: C19H16BrNO2 MolecularWeight: 370.23984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br)C

InChI

InChI=1S/C19H16BrNO2/c1-13-7-8-14(2)21(13)15-9-11-16(12-10-15)23-19(22)17-5-3-4-6-18(17)20/h3-12H,1-2H3