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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2,3-dimethoxybenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2,3-dimethoxybenzoate CAS Name: 2,3-dimethoxybenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2,3-dimethoxybenzoate Traditional Name: 2,3-dimethoxybenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C20H17N3O5/c1-26-16-9-5-7-14(18(16)27-2)20(25)28-12-17-22-15-8-4-3-6-13(15)19(24)23(17)11-10-21/h3-9H,11-12H2,1-2H3