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

Systemtic Name: methyl 4-chloranyl-3-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: methyl 4-chloro-3-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-chloro-3-(2,5-dimethyl-1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-chloro-3-(2,5-dimethylpyrrol-1-yl)benzoic acid methyl ester Formula: C14H14ClNO2 MolecularWeight: 263.71946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=CC(=C2)C(=O)OC)Cl)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=CC(=C2)C(=O)OC)Cl)C

InChI

InChI=1S/C14H14ClNO2/c1-9-4-5-10(2)16(9)13-8-11(14(17)18-3)6-7-12(13)15/h4-8H,1-3H3