4-[(E)-[6,7-bis(oxidanyl)-3-oxidanylidene-1-benzofuran-2-ylidene]methyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-[6,7-bis(oxidanyl)-3-oxidanylidene-1-benzofuran-2-ylidene]methyl]benzenecarbonitrile Openeye Name: 4-[(E)-(6,7-dihydroxy-3-oxo-benzofuran-2-ylidene)methyl]benzonitrile CAS Name: 4-[(E)-(6,7-dihydroxy-3-oxo-2-benzofuranylidene)methyl]benzonitrile IUPAC Name: 4-[(E)-(6,7-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]benzonitrile Traditional Name: 4-[(E)-(6,7-dihydroxy-3-keto-coumaran-2-ylidene)methyl]benzonitrile Formula: C16H9NO4 MolecularWeight: 279.24696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)O)O)C#N

Isomeric SMILES

C1=CC(=CC=C1/C=C/2\C(=O)C3=C(O2)C(=C(C=C3)O)O)C#N

InChI

InChI=1S/C16H9NO4/c17-8-10-3-1-9(2-4-10)7-13-14(19)11-5-6-12(18)15(20)16(11)21-13/h1-7,18,20H/b13-7+