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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2,3,4-trimethoxybenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-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=C(C(=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)OC)OC

InChI

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