methyl 3-[4-[1-(4-cyanophenyl)-5-oxidanyl-3-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[1-(4-cyanophenyl)-5-oxidanyl-3-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[1-(4-cyanophenyl)-5-hydroxy-3-oxo-2H-pyrrol-4-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-cyanophenyl)-5-hydroxy-3-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-cyanophenyl)-5-hydroxy-3-oxo-2H-pyrrol-4-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-cyanophenyl)-2-hydroxy-4-keto-2-pyrrolin-3-yl]phenyl]propionic acid methyl ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C2=C(N(CC2=O)C3=CC=C(C=C3)C#N)O

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2=C(N(CC2=O)C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C21H18N2O4/c1-27-19(25)11-6-14-2-7-16(8-3-14)20-18(24)13-23(21(20)26)17-9-4-15(12-22)5-10-17/h2-5,7-10,26H,6,11,13H2,1H3