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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H17NO4 MolecularWeight: 359.37468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C=CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)/C=C/C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H17NO4/c1-14-9-19-18(11-22(25)27-20(19)10-15(14)2)13-26-21(24)8-7-16-3-5-17(12-23)6-4-16/h3-11H,13H2,1-2H3/b8-7+