[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2,4,5-trimethoxybenzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2,4,5-trimethoxybenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)OC)OC

InChI

InChI=1S/C21H19N3O6/c1-27-16-11-18(29-3)17(28-2)10-14(16)21(26)30-12-19-23-15-7-5-4-6-13(15)20(25)24(19)9-8-22/h4-7,10-11H,9,12H2,1-3H3