2-[4-[6,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[6,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]phenyl]ethanenitrile Openeye Name: 2-[4-(6,7-dihydroxy-4-oxo-chromen-3-yl)phenyl]acetonitrile CAS Name: 2-[4-(6,7-dihydroxy-4-oxo-1-benzopyran-3-yl)phenyl]acetonitrile IUPAC Name: 2-[4-(6,7-dihydroxy-4-oxochromen-3-yl)phenyl]acetonitrile Traditional Name: 2-[4-(6,7-dihydroxy-4-keto-chromen-3-yl)phenyl]acetonitrile Formula: C17H11NO4 MolecularWeight: 293.27354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)C2=COC3=CC(=C(C=C3C2=O)O)O

Isomeric SMILES

C1=CC(=CC=C1CC#N)C2=COC3=CC(=C(C=C3C2=O)O)O

InChI

InChI=1S/C17H11NO4/c18-6-5-10-1-3-11(4-2-10)13-9-22-16-8-15(20)14(19)7-12(16)17(13)21/h1-4,7-9,19-20H,5H2