(2S)-2-[(2-chloranylquinazolin-4-yl)amino]butanedioate

Systemtic Name: (2S)-2-[(2-chloranylquinazolin-4-yl)amino]butanedioate Openeye Name: (2S)-2-[(2-chloroquinazolin-4-yl)amino]butanedioate CAS Name: (2S)-2-[(2-chloro-4-quinazolinyl)amino]butanedioate IUPAC Name: (2S)-2-[(2-chloroquinazolin-4-yl)amino]butanedioate Traditional Name: (2S)-2-[(2-chloroquinazolin-4-yl)amino]succinate Formula: C12H8ClN3O4-2 MolecularWeight: 293.66262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)Cl)NC(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)Cl)N[C@@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H10ClN3O4/c13-12-15-7-4-2-1-3-6(7)10(16-12)14-8(11(19)20)5-9(17)18/h1-4,8H,5H2,(H,17,18)(H,19,20)(H,14,15,16)/p-2/t8-/m0/s1