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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (E)-3-(2-chlorophenyl)prop-2-enoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (E)-3-(2-chlorophenyl)prop-2-enoate CAS Name: (E)-3-(2-chlorophenyl)-2-propenoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (E)-3-(2-chlorophenyl)prop-2-enoate Traditional Name: (E)-3-(2-chlorophenyl)acrylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H14ClN3O3 MolecularWeight: 379.79646

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3O3/c21-16-7-3-1-5-14(16)9-10-19(25)27-13-18-23-17-8-4-2-6-15(17)20(26)24(18)12-11-22/h1-10H,12-13H2/b10-9+