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3-[8-(aminomethyl)-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]propanoic acid

3-[8-(aminomethyl)-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]propanoic acid

Systemtic Name:3-[8-(aminomethyl)-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]propanoic acid
Openeye Name:3-[8-(aminomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]propanoic acid
CAS Name:3-[8-(aminomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]propanoic acid
IUPAC Name:3-[8-(aminomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]propanoic acid
Traditional Name:3-[8-(aminomethyl)-3-keto-6-nitro-2,4-dihydro-1H-quinoxalin-2-yl]propionic acid
Formula: C12H14N4O5
MolecularWeight: 294.26336
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=O)C(N2)CCC(=O)O)CN)[N+](=O)[O-]


Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(N2)CCC(=O)O)CN)[N+](=O)[O-]


InChI

InChI=1S/C12H14N4O5/c13-5-6-3-7(16(20)21)4-9-11(6)14-8(12(19)15-9)1-2-10(17)18/h3-4,8,14H,1-2,5,13H2,(H,15,19)(H,17,18)


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