2-[[(2-methoxyquinazolin-4-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(2-methoxyquinazolin-4-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(2-methoxyquinazolin-4-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(2-methoxy-4-quinazolinyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(2-methoxyquinazolin-4-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(2-methoxyquinazolin-4-yl)amino]methylene]malonic acid Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=CC=CC=C2C(=N1)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

COC1=NC2=CC=CC=C2C(=N1)NC=C(C(=O)O)C(=O)O

InChI

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