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

Systemtic Name: 2-[[(6-phenoxyquinazolin-4-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(6-phenoxyquinazolin-4-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(6-phenoxy-4-quinazolinyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(6-phenoxyquinazolin-4-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(6-phenoxyquinazolin-4-yl)amino]methylene]malonic acid Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC3=C(C=C2)N=CN=C3NC=C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC3=C(C=C2)N=CN=C3NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C18H13N3O5/c22-17(23)14(18(24)25)9-19-16-13-8-12(6-7-15(13)20-10-21-16)26-11-4-2-1-3-5-11/h1-10H,(H,22,23)(H,24,25)(H,19,20,21)