[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 1,3-benzodioxole-5-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C19H13N3O5 MolecularWeight: 363.32362

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C19H13N3O5/c20-7-8-22-17(21-14-4-2-1-3-13(14)18(22)23)10-25-19(24)12-5-6-15-16(9-12)27-11-26-15/h1-6,9H,8,10-11H2