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

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

Systemtic Name:4-[8-(aminomethyl)-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]butanoic acid
Openeye Name:4-[8-(aminomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]butanoic acid
CAS Name:4-[8-(aminomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]butanoic acid
IUPAC Name:4-[8-(aminomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]butanoic acid
Traditional Name:4-[8-(aminomethyl)-3-keto-6-nitro-2,4-dihydro-1H-quinoxalin-2-yl]butyric acid
Formula: C13H16N4O5
MolecularWeight: 308.28994
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H16N4O5/c14-6-7-4-8(17(21)22)5-10-12(7)15-9(13(20)16-10)2-1-3-11(18)19/h4-5,9,15H,1-3,6,14H2,(H,16,20)(H,18,19)


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