ethyl 1-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-methyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H20ClFN2O3 MolecularWeight: 414.857203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CC(=O)NC3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CC(=O)NC3=CC(=C(C=C3)F)Cl)C

InChI

InChI=1S/C22H20ClFN2O3/c1-3-29-22(28)17-12-20(15-7-5-4-6-8-15)26(14(17)2)13-21(27)25-16-9-10-19(24)18(23)11-16/h4-12H,3,13H2,1-2H3,(H,25,27)