5-(5-methyl-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carbonitrile

Systemtic Name: 5-(5-methyl-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carbonitrile Openeye Name: 1-benzyl-5-(2-hydroxy-5-methyl-benzoyl)-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(2-hydroxy-5-methylphenyl)-oxomethyl]-2-oxo-1-(phenylmethyl)-3-pyridinecarbonitrile IUPAC Name: 1-benzyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile Traditional Name: 1-benzyl-5-(2-hydroxy-5-methyl-benzoyl)-2-keto-nicotinonitrile Formula: C21H16N2O3 MolecularWeight: 344.36334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H16N2O3/c1-14-7-8-19(24)18(9-14)20(25)17-10-16(11-22)21(26)23(13-17)12-15-5-3-2-4-6-15/h2-10,13,24H,12H2,1H3