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

Systemtic Name: methyl 3-methyl-2-[(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)carbonylamino]butanoate Openeye Name: methyl 3-methyl-2-[(1-oxido-4-oxo-quinoxalin-4-ium-2-carbonyl)amino]butanoate CAS Name: 3-methyl-2-[[(1-oxido-4-oxo-2-quinoxalin-4-iumyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[(1-oxido-4-oxoquinoxalin-4-ium-2-carbonyl)amino]butanoate Traditional Name: 2-[(4-keto-1-oxido-quinoxalin-4-ium-2-carbonyl)amino]-3-methyl-butyric acid methyl ester Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1=C[N+](=O)C2=CC=CC=C2N1[O-]

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)C1=C[N+](=O)C2=CC=CC=C2N1[O-]

InChI

InChI=1S/C15H17N3O5/c1-9(2)13(15(20)23-3)16-14(19)12-8-17(21)10-6-4-5-7-11(10)18(12)22/h4-9,13H,1-3H3,(H,16,19)