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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (7-chloro-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 (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-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 (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H16ClN3O5 MolecularWeight: 425.82184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)OCC#N

InChI

InChI=1S/C21H16ClN3O5/c1-28-18-10-13(2-6-17(18)29-9-8-23)3-7-20(26)30-12-19-24-16-11-14(22)4-5-15(16)21(27)25-19/h2-7,10-11H,9,12H2,1H3,(H,24,25,27)/b7-3+