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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C15H15N3O6/c19-12(17-11(15(23)24)7-13(20)21)5-6-18-8-16-10-4-2-1-3-9(10)14(18)22/h1-4,8,11H,5-7H2,(H,17,19)(H,20,21)(H,23,24)