methyl 3-ethyl-7-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 3-ethyl-7-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-ethyl-7-methyl-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 3-ethyl-7-methyl-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-7-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-ethyl-1-keto-7-methyl-4-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)C)C(=O)OC

Isomeric SMILES

CCC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)C)C(=O)OC

InChI

InChI=1S/C13H14N2O4/c1-4-9-12(13(16)19-3)15(18)11-7-8(2)5-6-10(11)14(9)17/h5-7H,4H2,1-3H3