[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3,5-bis(chloranyl)benzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3,5-bis(chloranyl)benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3,5-dichlorobenzoate CAS Name: 3,5-dichlorobenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3,5-dichlorobenzoate Traditional Name: 3,5-dichlorobenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C18H11Cl2N3O3 MolecularWeight: 388.20424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11Cl2N3O3/c19-12-7-11(8-13(20)9-12)18(25)26-10-16-22-15-4-2-1-3-14(15)17(24)23(16)6-5-21/h1-4,7-9H,6,10H2