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(2S)-2-[(7-carboxylatoquinazolin-4-yl)azaniumyl]butanedioate

(2S)-2-[(7-carboxylatoquinazolin-4-yl)azaniumyl]butanedioate

Systemtic Name:(2S)-2-[(7-carboxylatoquinazolin-4-yl)azaniumyl]butanedioate
Openeye Name:(2S)-2-[(7-carboxylatoquinazolin-4-yl)ammonio]butanedioate
CAS Name:(2S)-2-[(7-carboxylato-4-quinazolinyl)ammonio]butanedioate
IUPAC Name:(2S)-2-[(7-carboxylatoquinazolin-4-yl)azaniumyl]butanedioate
Traditional Name:(2S)-2-[(7-carboxylatoquinazolin-4-yl)ammonio]succinate
Formula: C13H9N3O6-2
MolecularWeight: 303.22706
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)[O-])N=CN=C2[NH2+]C(CC(=O)[O-])C(=O)[O-]


Isomeric SMILES

C1=CC2=C(C=C1C(=O)[O-])N=CN=C2[NH2+][C@@H](CC(=O)[O-])C(=O)[O-]


InChI

InChI=1S/C13H11N3O6/c17-10(18)4-9(13(21)22)16-11-7-2-1-6(12(19)20)3-8(7)14-5-15-11/h1-3,5,9H,4H2,(H,17,18)(H,19,20)(H,21,22)(H,14,15,16)/p-2/t9-/m0/s1


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