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

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

Systemtic Name:3-[ethyl-[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]amino]propanoic acid
Openeye Name:3-[ethyl-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)amino]propanoic acid
CAS Name:3-[ethyl-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)amino]propanoic acid
IUPAC Name:3-[ethyl-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)amino]propanoic acid
Traditional Name:3-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)-ethyl-amino]propionic acid
Formula: C13H14N4O6
MolecularWeight: 322.27346
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)O)C1=C2C(=CC(=C1)[N+](=O)[O-])NC(=O)C(=O)N2


Isomeric SMILES

CCN(CCC(=O)O)C1=C2C(=CC(=C1)[N+](=O)[O-])NC(=O)C(=O)N2


InChI

InChI=1S/C13H14N4O6/c1-2-16(4-3-10(18)19)9-6-7(17(22)23)5-8-11(9)15-13(21)12(20)14-8/h5-6H,2-4H2,1H3,(H,14,20)(H,15,21)(H,18,19)


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