methyl 2-(1,3-benzodioxol-5-ylcarbonyloxymethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonyloxymethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-(1,3-benzodioxole-5-carbonyloxymethyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonyloxymethyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-(piperonyloyloxymethyl)-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H14N2O7 MolecularWeight: 382.32366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H14N2O7/c1-25-18(23)10-2-4-12-13(6-10)20-16(21-17(12)22)8-26-19(24)11-3-5-14-15(7-11)28-9-27-14/h2-7H,8-9H2,1H3,(H,20,21,22)