[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(3,4-dichlorophenyl)ethanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(3,4-dichlorophenyl)ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(3,4-dichlorophenyl)acetate CAS Name: 2-(3,4-dichlorophenyl)acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(3,4-dichlorophenyl)acetate Traditional Name: 2-(3,4-dichlorophenyl)acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C19H13Cl2N3O3 MolecularWeight: 402.23082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CC3=CC(=C(C=C3)Cl)Cl)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CC3=CC(=C(C=C3)Cl)Cl)CC#N

InChI

InChI=1S/C19H13Cl2N3O3/c20-14-6-5-12(9-15(14)21)10-18(25)27-11-17-23-16-4-2-1-3-13(16)19(26)24(17)8-7-22/h1-6,9H,8,10-11H2