methyl 2-[(1-oxidanyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)carbonylamino]propanoate

Systemtic Name: methyl 2-[(1-oxidanyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)carbonylamino]propanoate Openeye Name: methyl 2-[(1-hydroxy-4-oxo-quinoxalin-4-ium-2-carbonyl)amino]propanoate CAS Name: 2-[[(1-hydroxy-4-oxo-2-quinoxalin-4-iumyl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[(1-hydroxy-4-oxoquinoxalin-4-ium-2-carbonyl)amino]propanoate Traditional Name: 2-[(1-hydroxy-4-keto-quinoxalin-4-ium-2-carbonyl)amino]propionic acid methyl ester Formula: C13H14N3O5+ MolecularWeight: 292.26736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1=C[N+](=O)C2=CC=CC=C2N1O

Isomeric SMILES

CC(C(=O)OC)NC(=O)C1=C[N+](=O)C2=CC=CC=C2N1O

InChI

InChI=1S/C13H13N3O5/c1-8(13(18)21-2)14-12(17)11-7-15(19)9-5-3-4-6-10(9)16(11)20/h3-8,20H,1-2H3/p+1