2-[[(7-methylquinazolin-4-yl)amino]methylidene]propanedioate

Systemtic Name: 2-[[(7-methylquinazolin-4-yl)amino]methylidene]propanedioate Openeye Name: 2-[[(7-methylquinazolin-4-yl)amino]methylene]propanedioate CAS Name: 2-[[(7-methyl-4-quinazolinyl)amino]methylidene]propanedioate IUPAC Name: 2-[[(7-methylquinazolin-4-yl)amino]methylidene]propanedioate Traditional Name: 2-[[(7-methylquinazolin-4-yl)amino]methylene]malonate Formula: C13H9N3O4-2 MolecularWeight: 271.22826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC=N2)NC=C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC=N2)NC=C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H11N3O4/c1-7-2-3-8-10(4-7)15-6-16-11(8)14-5-9(12(17)18)13(19)20/h2-6H,1H3,(H,17,18)(H,19,20)(H,14,15,16)/p-2