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

Systemtic Name: 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoate IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoate Formula: C13H12NO2- MolecularWeight: 214.23988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO2/c1-9-3-4-10(2)14(9)12-7-5-11(6-8-12)13(15)16/h3-8H,1-2H3,(H,15,16)/p-1