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

Systemtic Name: 2-[[(7-acetamidoquinazolin-4-yl)amino]methylidene]propanedioate Openeye Name: 2-[[(7-acetamidoquinazolin-4-yl)amino]methylene]propanedioate CAS Name: 2-[[(7-acetamido-4-quinazolinyl)amino]methylidene]propanedioate IUPAC Name: 2-[[(7-acetamidoquinazolin-4-yl)amino]methylidene]propanedioate Traditional Name: 2-[[(7-acetamidoquinazolin-4-yl)amino]methylene]malonate Formula: C14H10N4O5-2 MolecularWeight: 314.253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=NC=N2)NC=C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=NC=N2)NC=C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H12N4O5/c1-7(19)18-8-2-3-9-11(4-8)16-6-17-12(9)15-5-10(13(20)21)14(22)23/h2-6H,1H3,(H,18,19)(H,20,21)(H,22,23)(H,15,16,17)/p-2