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

Systemtic Name: methyl 7-chloranyl-3-ethyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 7-chloro-3-ethyl-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 7-chloro-3-ethyl-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 7-chloro-3-ethyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate Traditional Name: 7-chloro-3-ethyl-1-keto-4-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C12H11ClN2O4 MolecularWeight: 282.67974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN2O4/c1-3-8-11(12(16)19-2)15(18)10-6-7(13)4-5-9(10)14(8)17/h4-6H,3H2,1-2H3