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

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

Systemtic Name:2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]-3-oxidanyl-propanoic acid
Openeye Name:3-hydroxy-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid
CAS Name:3-hydroxy-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid
IUPAC Name:3-hydroxy-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid
Traditional Name:2-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]-3-hydroxy-propionic acid
Formula: C12H12N4O7
MolecularWeight: 324.24628
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNC(CO)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNC(CO)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C12H12N4O7/c17-4-8(12(20)21)13-3-5-1-6(16(22)23)2-7-9(5)15-11(19)10(18)14-7/h1-2,8,13,17H,3-4H2,(H,14,18)(H,15,19)(H,20,21)


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