2-[4-[(E)-(6-bromanyl-4-oxidanylidene-chromen-3-ylidene)methyl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-(6-bromanyl-4-oxidanylidene-chromen-3-ylidene)methyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-(6-bromo-4-oxo-chroman-3-ylidene)methyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(E)-(6-bromo-4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-(6-bromo-4-oxochromen-3-ylidene)methyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(E)-(6-bromo-4-keto-chroman-3-ylidene)methyl]-2-methoxy-phenoxy]acetonitrile Formula: C19H14BrNO4 MolecularWeight: 400.22276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2COC3=C(C2=O)C=C(C=C3)Br)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/2\COC3=C(C2=O)C=C(C=C3)Br)OCC#N

InChI

InChI=1S/C19H14BrNO4/c1-23-18-9-12(2-4-17(18)24-7-6-21)8-13-11-25-16-5-3-14(20)10-15(16)19(13)22/h2-5,8-10H,7,11H2,1H3/b13-8+