(3,5-dimethylphenyl)methyl 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: (3,5-dimethylphenyl)methyl 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: (3,5-dimethylphenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid (3,5-dimethylbenzyl) ester Formula: C14H14ClNO2 MolecularWeight: 263.71946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C2=CC(=CN2)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C2=CC(=CN2)Cl)C

InChI

InChI=1S/C14H14ClNO2/c1-9-3-10(2)5-11(4-9)8-18-14(17)13-6-12(15)7-16-13/h3-7,16H,8H2,1-2H3