diethyl 2-[(4-oxidanylidenequinazolin-3-yl)methyl]propanedioate dihydrochloride

Systemtic Name: diethyl 2-[(4-oxidanylidenequinazolin-3-yl)methyl]propanedioate dihydrochloride Openeye Name: diethyl 2-[(4-oxoquinazolin-3-yl)methyl]propanedioate dihydrochloride CAS Name: 2-[(4-oxo-3-quinazolinyl)methyl]propanedioic acid diethyl ester dihydrochloride IUPAC Name: diethyl 2-[(4-oxoquinazolin-3-yl)methyl]propanedioate dihydrochloride Traditional Name: 2-[(4-ketoquinazolin-3-yl)methyl]malonic acid diethyl ester dihydrochloride Formula: C16H20Cl2N2O5 MolecularWeight: 391.2464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CN1C=NC2=CC=CC=C2C1=O)C(=O)OCC.Cl.Cl

Isomeric SMILES

CCOC(=O)C(CN1C=NC2=CC=CC=C2C1=O)C(=O)OCC.Cl.Cl

InChI

InChI=1S/C16H18N2O5.2ClH/c1-3-22-15(20)12(16(21)23-4-2)9-18-10-17-13-8-6-5-7-11(13)14(18)19;;/h5-8,10,12H,3-4,9H2,1-2H3;2*1H