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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (E)-3-(3-chlorophenyl)prop-2-enoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (E)-3-(3-chlorophenyl)prop-2-enoate CAS Name: (E)-3-(3-chlorophenyl)-2-propenoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (E)-3-(3-chlorophenyl)prop-2-enoate Traditional Name: (E)-3-(3-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=C2C(=C1)C(=O)N(C(=N2)COC(=O)C=CC3=CC(=CC=C3)Cl)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)/C=C/C3=CC(=CC=C3)Cl)CC#N

InChI

InChI=1S/C20H14ClN3O3/c21-15-5-3-4-14(12-15)8-9-19(25)27-13-18-23-17-7-2-1-6-16(17)20(26)24(18)11-10-22/h1-9,12H,11,13H2/b9-8+