4-[3-ethanoyl-1-[(4-methylphenyl)methyl]-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzenecarbonitrile

Systemtic Name: 4-[3-ethanoyl-1-[(4-methylphenyl)methyl]-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzenecarbonitrile Openeye Name: 4-[3-acetyl-4-hydroxy-5-oxo-1-(p-tolylmethyl)-2H-pyrrol-2-yl]benzonitrile CAS Name: 4-[3-acetyl-4-hydroxy-1-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzonitrile IUPAC Name: 4-[3-acetyl-4-hydroxy-1-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzonitrile Traditional Name: 4-[3-acetyl-4-hydroxy-5-keto-1-(4-methylbenzyl)-3-pyrrolin-2-yl]benzonitrile Formula: C21H18N2O3 MolecularWeight: 346.37922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(C(=C(C2=O)O)C(=O)C)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(C(=C(C2=O)O)C(=O)C)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H18N2O3/c1-13-3-5-16(6-4-13)12-23-19(17-9-7-15(11-22)8-10-17)18(14(2)24)20(25)21(23)26/h3-10,19,25H,12H2,1-2H3