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

Systemtic Name: methyl 3-methyl-2-[(3-methyl-1-oxidanidyl-quinoxalin-1-ium-2-yl)carbonylamino]butanoate Openeye Name: methyl 3-methyl-2-[(3-methyl-1-oxido-quinoxalin-1-ium-2-carbonyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methyl-1-oxido-2-quinoxalin-1-iumyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[(3-methyl-1-oxidoquinoxalin-1-ium-2-carbonyl)amino]butanoate Traditional Name: 3-methyl-2-[(3-methyl-1-oxido-quinoxalin-1-ium-2-carbonyl)amino]butyric acid methyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2[N+](=C1C(=O)NC(C(C)C)C(=O)OC)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2[N+](=C1C(=O)NC(C(C)C)C(=O)OC)[O-]

InChI

InChI=1S/C16H19N3O4/c1-9(2)13(16(21)23-4)18-15(20)14-10(3)17-11-7-5-6-8-12(11)19(14)22/h5-9,13H,1-4H3,(H,18,20)