ethyl 7-methyl-3-oxidanidyl-6-oxidanyl-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-carboxylate

Systemtic Name: ethyl 7-methyl-3-oxidanidyl-6-oxidanyl-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-carboxylate Openeye Name: ethyl 6-hydroxy-7-methyl-3-oxido-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-carboxylate CAS Name: 6-hydroxy-7-methyl-3-oxido-8-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-hydroxy-7-methyl-3-oxidopyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-carboxylate Traditional Name: 6-hydroxy-7-methyl-3-oxido-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-carboxylic acid ethyl ester Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C3=NO[N+](=C3C=C2)[O-])O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C3=NO[N+](=C3C=C2)[O-])O)C

InChI

InChI=1S/C12H11N3O5/c1-3-19-12(16)9-6(2)14(17)7-4-5-8-11(10(7)9)13-20-15(8)18/h4-5,17H,3H2,1-2H3