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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3,4-bis(chloranyl)benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3,4-dichlorobenzoate Traditional Name: 3,4-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(=C(C=C3)Cl)Cl)CC#N

Isomeric SMILES

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

InChI

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