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2-azanyl-2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]propanoic acid

2-azanyl-2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]propanoic acid

Systemtic Name:2-azanyl-2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]propanoic acid
Openeye Name:2-amino-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid
CAS Name:2-amino-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid
IUPAC Name:2-amino-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid
Traditional Name:2-amino-2-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]propionic acid
Formula: C12H13N5O6
MolecularWeight: 323.26152
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(N)NCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-]


Isomeric SMILES

CC(C(=O)O)(N)NCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-]


InChI

InChI=1S/C12H13N5O6/c1-12(13,11(20)21)14-4-5-2-6(17(22)23)3-7-8(5)16-10(19)9(18)15-7/h2-3,14H,4,13H2,1H3,(H,15,18)(H,16,19)(H,20,21)


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