(4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=NC(=O)C3=CC=CC=C3N2)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=NC(=O)C3=CC=CC=C3N2)OCC#N

InChI

InChI=1S/C21H17N3O5/c1-27-18-12-14(6-8-17(18)28-11-10-22)7-9-20(25)29-13-19-23-16-5-3-2-4-15(16)21(26)24-19/h2-9,12H,11,13H2,1H3,(H,23,24,26)/b9-7+