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

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (7-bromo-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-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-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 (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C22H16BrNO6 MolecularWeight: 470.26954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)OCC#N

InChI

InChI=1S/C22H16BrNO6/c1-27-20-10-14(2-6-18(20)28-9-8-24)3-7-21(25)29-13-15-11-22(26)30-19-12-16(23)4-5-17(15)19/h2-7,10-12H,9,13H2,1H3/b7-3+