2-[[(1-methyl-2-oxidanylidene-quinazolin-4-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(1-methyl-2-oxidanylidene-quinazolin-4-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(1-methyl-2-oxo-quinazolin-4-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(1-methyl-2-oxo-4-quinazolinyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(1-methyl-2-oxoquinazolin-4-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(2-keto-1-methyl-quinazolin-4-yl)amino]methylene]malonic acid Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC1=O)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC1=O)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C13H11N3O5/c1-16-9-5-3-2-4-7(9)10(15-13(16)21)14-6-8(11(17)18)12(19)20/h2-6H,1H3,(H,17,18)(H,19,20)(H,14,15,21)