2-[[acetamido(quinazolin-4-yl)amino]methylidene]propanedioate; benzene

Systemtic Name: 2-[[acetamido(quinazolin-4-yl)amino]methylidene]propanedioate; benzene Openeye Name: 2-[[acetamido(quinazolin-4-yl)amino]methylene]propanedioate; benzene CAS Name: 2-[[acetamido(4-quinazolinyl)amino]methylidene]propanedioate; benzene IUPAC Name: 2-[[acetamido(quinazolin-4-yl)amino]methylidene]propanedioate; benzene Traditional Name: 2-[[acetamido(quinazolin-4-yl)amino]methylene]malonate; benzene Formula: C20H16N4O5-2 MolecularWeight: 392.36484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN(C=C(C(=O)[O-])C(=O)[O-])C1=NC=NC2=CC=CC=C21.C1=CC=CC=C1

Isomeric SMILES

CC(=O)NN(C=C(C(=O)[O-])C(=O)[O-])C1=NC=NC2=CC=CC=C21.C1=CC=CC=C1

InChI

InChI=1S/C14H12N4O5.C6H6/c1-8(19)17-18(6-10(13(20)21)14(22)23)12-9-4-2-3-5-11(9)15-7-16-12;1-2-4-6-5-3-1/h2-7H,1H3,(H,17,19)(H,20,21)(H,22,23);1-6H/p-2