(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C24H21NO6 MolecularWeight: 419.42664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CC(=C(C=C3)OCC#N)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)/C=C/C3=CC(=C(C=C3)OCC#N)OC)C

InChI

InChI=1S/C24H21NO6/c1-15-4-7-19-18(13-23(27)31-24(19)16(15)2)14-30-22(26)9-6-17-5-8-20(29-11-10-25)21(12-17)28-3/h4-9,12-13H,11,14H2,1-3H3/b9-6+