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

Systemtic Name: methyl 3-tert-butyl-7-chloranyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-tert-butyl-7-chloro-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 3-tert-butyl-7-chloro-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-tert-butyl-7-chloro-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-tert-butyl-7-chloro-1-keto-4-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C14H15ClN2O4 MolecularWeight: 310.7329

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)Cl)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)Cl)C(=O)OC

InChI

InChI=1S/C14H15ClN2O4/c1-14(2,3)12-11(13(18)21-4)16(19)10-7-8(15)5-6-9(10)17(12)20/h5-7H,1-4H3