ethyl 4-[2-(4-chlorophenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[2-(4-chlorophenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate CAS Name: 4-[3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate Traditional Name: 4-[3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO5/c1-3-28-21(27)14-6-10-16(11-7-14)23-18(13-4-8-15(22)9-5-13)17(12(2)24)19(25)20(23)26/h4-11,18,25H,3H2,1-2H3