methyl 3-tert-butyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 3-tert-butyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-tert-butyl-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 3-tert-butyl-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-tert-butyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-tert-butyl-1-keto-4-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4/c1-14(2,3)12-11(13(17)20-4)15(18)9-7-5-6-8-10(9)16(12)19/h5-8H,1-4H3