[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (E)-3-phenylprop-2-enoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (E)-3-phenylprop-2-enoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H15N3O3 MolecularWeight: 345.3514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C20H15N3O3/c21-12-13-23-18(22-17-9-5-4-8-16(17)20(23)25)14-26-19(24)11-10-15-6-2-1-3-7-15/h1-11H,13-14H2/b11-10+