ethyl 4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(3-chloro-4-fluoro-phenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(3-chloro-4-fluoroanilino)-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-4-fluorophenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(3-chloro-4-fluoro-phenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C16H16ClFN2O3 MolecularWeight: 338.761243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2)F)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2)F)Cl)C

InChI

InChI=1S/C16H16ClFN2O3/c1-4-23-16(22)14-8(2)13(9(3)19-14)15(21)20-10-5-6-12(18)11(17)7-10/h5-7,19H,4H2,1-3H3,(H,20,21)