4-[3-oxidanylidene-4-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)butyl]benzenecarbonitrile

Systemtic Name: 4-[3-oxidanylidene-4-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)butyl]benzenecarbonitrile Openeye Name: 4-[4-(2-hydroxy-4-oxo-chromen-3-yl)-3-oxo-butyl]benzonitrile CAS Name: 4-[4-(2-hydroxy-4-oxo-1-benzopyran-3-yl)-3-oxobutyl]benzonitrile IUPAC Name: 4-[4-(2-hydroxy-4-oxochromen-3-yl)-3-oxobutyl]benzonitrile Traditional Name: 4-[4-(2-hydroxy-4-keto-chromen-3-yl)-3-keto-butyl]benzonitrile Formula: C20H15NO4 MolecularWeight: 333.3374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(O2)O)CC(=O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(O2)O)CC(=O)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H15NO4/c21-12-14-7-5-13(6-8-14)9-10-15(22)11-17-19(23)16-3-1-2-4-18(16)25-20(17)24/h1-8,24H,9-11H2