methyl 4-[2-(chloromethyl)phenyl]carbonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-[2-(chloromethyl)phenyl]carbonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-[2-(chloromethyl)benzoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[2-(chloromethyl)phenyl]-oxomethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(chloromethyl)benzoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(chloromethyl)benzoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H16ClNO3 MolecularWeight: 305.75614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=CC=CC=C2CCl

Isomeric SMILES

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=CC=CC=C2CCl

InChI

InChI=1S/C16H16ClNO3/c1-9-13(14(10(2)18-9)16(20)21-3)15(19)12-7-5-4-6-11(12)8-17/h4-7,18H,8H2,1-3H3