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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C21H15NO5 MolecularWeight: 361.3475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C=CC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)/C=C/C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C21H15NO5/c1-13-18(23)8-7-17-16(10-20(25)27-21(13)17)12-26-19(24)9-6-14-2-4-15(11-22)5-3-14/h2-10,23H,12H2,1H3/b9-6+