methyl 4-[[2,5-bis(chloranyl)phenyl]methyl]-5-ethanoyl-2-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-[[2,5-bis(chloranyl)phenyl]methyl]-5-ethanoyl-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-acetyl-4-(2,5-dichlorobenzyl)-2-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H15Cl2NO3 MolecularWeight: 340.2012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C(=O)C)CC2=C(C=CC(=C2)Cl)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1)C(=O)C)CC2=C(C=CC(=C2)Cl)Cl)C(=O)OC

InChI

InChI=1S/C16H15Cl2NO3/c1-8-14(16(21)22-3)12(15(19-8)9(2)20)7-10-6-11(17)4-5-13(10)18/h4-6,19H,7H2,1-3H3