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

Systemtic Name: diethyl 2-[[(4-oxidanylidenequinazolin-3-yl)methylamino]methyl]propanedioate Openeye Name: diethyl 2-[[(4-oxoquinazolin-3-yl)methylamino]methyl]propanedioate CAS Name: 2-[[(4-oxo-3-quinazolinyl)methylamino]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(4-oxoquinazolin-3-yl)methylamino]methyl]propanedioate Traditional Name: 2-[[(4-ketoquinazolin-3-yl)methylamino]methyl]malonic acid diethyl ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNCN1C=NC2=CC=CC=C2C1=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CNCN1C=NC2=CC=CC=C2C1=O)C(=O)OCC

InChI

InChI=1S/C17H21N3O5/c1-3-24-16(22)13(17(23)25-4-2)9-18-10-20-11-19-14-8-6-5-7-12(14)15(20)21/h5-8,11,13,18H,3-4,9-10H2,1-2H3