[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-oxidanylbenzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-oxidanylbenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C18H13N3O4 MolecularWeight: 335.31352

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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)O)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O4/c19-9-10-21-16(20-15-4-2-1-3-14(15)17(21)23)11-25-18(24)12-5-7-13(22)8-6-12/h1-8,22H,10-11H2