2-[(3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(3-methyl-4-oxido-1-oxo-quinoxalin-1-ium-2-carbonyl)amino]acetic acid CAS Name: 2-[[(3-methyl-4-oxido-1-oxo-2-quinoxalin-1-iumyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carbonyl)amino]acetic acid Traditional Name: 2-[(1-keto-3-methyl-4-oxido-quinoxalin-1-ium-2-carbonyl)amino]acetic acid Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)NCC(=O)O

Isomeric SMILES

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)NCC(=O)O

InChI

InChI=1S/C12H11N3O5/c1-7-11(12(18)13-6-10(16)17)15(20)9-5-3-2-4-8(9)14(7)19/h2-5H,6H2,1H3,(H,13,18)(H,16,17)