2-[2-methoxy-4-[(E)-3-oxidanylidene-3-(2-oxidanylidenechromen-3-yl)prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-methoxy-4-[(E)-3-oxidanylidene-3-(2-oxidanylidenechromen-3-yl)prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methoxy-4-[(E)-3-oxo-3-(2-oxochromen-3-yl)prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-3-oxo-3-(2-oxo-1-benzopyran-3-yl)prop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-3-oxo-3-(2-oxochromen-3-yl)prop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-keto-3-(2-ketochromen-3-yl)prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C21H15NO5 MolecularWeight: 361.3475

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=CC3=CC=CC=C3OC2=O)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC3=CC=CC=C3OC2=O)OCC#N

InChI

InChI=1S/C21H15NO5/c1-25-20-12-14(7-9-19(20)26-11-10-22)6-8-17(23)16-13-15-4-2-3-5-18(15)27-21(16)24/h2-9,12-13H,11H2,1H3/b8-6+