4-chloranyl-3-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: 4-chloranyl-3-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: 4-chloro-3-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-chloro-3-(2,5-dimethyl-1-pyrrolyl)benzoate IUPAC Name: 4-chloro-3-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-chloro-3-(2,5-dimethylpyrrol-1-yl)benzoate Formula: C13H11ClNO2- MolecularWeight: 248.68494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=CC(=C2)C(=O)[O-])Cl)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=CC(=C2)C(=O)[O-])Cl)C

InChI

InChI=1S/C13H12ClNO2/c1-8-3-4-9(2)15(8)12-7-10(13(16)17)5-6-11(12)14/h3-7H,1-2H3,(H,16,17)/p-1