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

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

Systemtic Name:3-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylcarbamoylamino]propanoic acid
Openeye Name:3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylcarbamoylamino]propanoic acid
CAS Name:3-[[[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-oxomethyl]amino]propanoic acid
IUPAC Name:3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylcarbamoylamino]propanoic acid
Traditional Name:3-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylcarbamoylamino]propionic acid
Formula: C13H13N5O7
MolecularWeight: 351.27162
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H13N5O7/c19-9(20)1-2-14-13(23)15-5-6-3-7(18(24)25)4-8-10(6)17-12(22)11(21)16-8/h3-4H,1-2,5H2,(H,16,21)(H,17,22)(H,19,20)(H2,14,15,23)


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