5-(5-methoxy-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-1-phenethyl-pyridine-3-carbonitrile

Systemtic Name: 5-(5-methoxy-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-1-phenethyl-pyridine-3-carbonitrile Openeye Name: 5-(2-hydroxy-5-methoxy-benzoyl)-2-oxo-1-phenethyl-pyridine-3-carbonitrile CAS Name: 5-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-2-oxo-1-phenethyl-3-pyridinecarbonitrile IUPAC Name: 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-phenethylpyridine-3-carbonitrile Traditional Name: 5-(2-hydroxy-5-methoxy-benzoyl)-2-keto-1-phenethyl-nicotinonitrile Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)CCC3=CC=CC=C3

InChI

InChI=1S/C22H18N2O4/c1-28-18-7-8-20(25)19(12-18)21(26)17-11-16(13-23)22(27)24(14-17)10-9-15-5-3-2-4-6-15/h2-8,11-12,14,25H,9-10H2,1H3