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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5-chloranyl-2-oxidanyl-benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 5-chloro-2-hydroxy-benzoate CAS Name: 5-chloro-2-hydroxybenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 5-chloro-2-hydroxybenzoate Traditional Name: 5-chloro-2-hydroxy-benzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C18H12ClN3O4 MolecularWeight: 369.75858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O4/c19-11-5-6-15(23)13(9-11)18(25)26-10-16-21-14-4-2-1-3-12(14)17(24)22(16)8-7-20/h1-6,9,23H,8,10H2