2-[[(6-chloranylquinazolin-4-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(6-chloranylquinazolin-4-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(6-chloroquinazolin-4-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(6-chloro-4-quinazolinyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(6-chloroquinazolin-4-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(6-chloroquinazolin-4-yl)amino]methylene]malonic acid Formula: C12H8ClN3O4 MolecularWeight: 293.66262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=NC=N2)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=NC=N2)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C12H8ClN3O4/c13-6-1-2-9-7(3-6)10(16-5-15-9)14-4-8(11(17)18)12(19)20/h1-5H,(H,17,18)(H,19,20)(H,14,15,16)