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

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)phenyl]-2-propenoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)phenyl]acrylic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C23H18N2O6 MolecularWeight: 418.39882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CC=C(C=C3)OCC#N

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)/C=C/C3=CC=C(C=C3)OCC#N

InChI

InChI=1S/C23H18N2O6/c1-15(26)25-18-5-8-20-17(12-23(28)31-21(20)13-18)14-30-22(27)9-4-16-2-6-19(7-3-16)29-11-10-24/h2-9,12-13H,11,14H2,1H3,(H,25,26)/b9-4+