(4R)-4-azaniumyl-4-[2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]butanoate

Systemtic Name: (4R)-4-azaniumyl-4-[2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]butanoate Openeye Name: (4R)-4-azaniumyl-4-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanoate CAS Name: (4R)-4-ammonio-4-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanoate IUPAC Name: (4R)-4-azaniumyl-4-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanoate Traditional Name: (4R)-4-ammonio-4-(2,3-diketo-1,4-dihydroquinoxalin-6-yl)butyrate Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(CCC(=O)[O-])[NH3+])NC(=O)C(=O)N2

Isomeric SMILES

C1=CC2=C(C=C1[C@@H](CCC(=O)[O-])[NH3+])NC(=O)C(=O)N2

InChI

InChI=1S/C12H13N3O4/c13-7(2-4-10(16)17)6-1-3-8-9(5-6)15-12(19)11(18)14-8/h1,3,5,7H,2,4,13H2,(H,14,18)(H,15,19)(H,16,17)/t7-/m1/s1