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

Systemtic Name: methyl 3-methyl-2-[(3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)carbonylamino]butanoate Openeye Name: methyl 3-methyl-2-[(3-methyl-4-oxido-1-oxo-quinoxalin-1-ium-2-carbonyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methyl-4-oxido-1-oxo-2-quinoxalin-1-iumyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carbonyl)amino]butanoate Traditional Name: 2-[(1-keto-3-methyl-4-oxido-quinoxalin-1-ium-2-carbonyl)amino]-3-methyl-butyric acid methyl ester Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5/c1-9(2)13(16(21)24-4)17-15(20)14-10(3)18(22)11-7-5-6-8-12(11)19(14)23/h5-9,13H,1-4H3,(H,17,20)