[4-(2,5-dimethylpyrrol-1-yl)phenyl] 3-bromanylbenzoate

Systemtic Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl] 3-bromanylbenzoate Openeye Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-(2,5-dimethyl-1-pyrrolyl)phenyl] ester IUPAC Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl] 3-bromobenzoate Traditional Name: 3-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=C3)Br)C

Isomeric SMILES

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

InChI

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