2-[2-(4-oxidanylidenequinazolin-3-yl)propanoylamino]butanedioic acid

Systemtic Name: 2-[2-(4-oxidanylidenequinazolin-3-yl)propanoylamino]butanedioic acid Openeye Name: 2-[2-(4-oxoquinazolin-3-yl)propanoylamino]butanedioic acid CAS Name: 2-[[1-oxo-2-(4-oxo-3-quinazolinyl)propyl]amino]butanedioic acid IUPAC Name: 2-[2-(4-oxoquinazolin-3-yl)propanoylamino]butanedioic acid Traditional Name: 2-[2-(4-ketoquinazolin-3-yl)propanoylamino]succinic acid Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C(=O)O)N1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CC(C(=O)NC(CC(=O)O)C(=O)O)N1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C15H15N3O6/c1-8(13(21)17-11(15(23)24)6-12(19)20)18-7-16-10-5-3-2-4-9(10)14(18)22/h2-5,7-8,11H,6H2,1H3,(H,17,21)(H,19,20)(H,23,24)