(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H17NO5 MolecularWeight: 375.37408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C=CC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)/C=C/C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C22H17NO5/c1-2-16-9-18-17(10-22(26)28-20(18)11-19(16)24)13-27-21(25)8-7-14-3-5-15(12-23)6-4-14/h3-11,24H,2,13H2,1H3/b8-7+