5-diazonio-1-ethyl-6,7-bis(oxidanyl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 5-diazonio-1-ethyl-6,7-bis(oxidanyl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 5-diazonio-1-ethyl-6,7-dihydroxy-4-oxo-quinoline-3-carboxylate CAS Name: 5-diazonio-1-ethyl-6,7-dihydroxy-4-oxo-3-quinolinecarboxylate IUPAC Name: 5-diazonio-1-ethyl-6,7-dihydroxy-4-oxoquinoline-3-carboxylate Traditional Name: 5-diazonio-1-ethyl-6,7-dihydroxy-4-keto-quinoline-3-carboxylate Formula: C12H9N3O5 MolecularWeight: 275.21696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C(C(=C(C=C21)O)O)[N+]#N)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=C(C(=C(C=C21)O)O)[N+]#N)C(=O)[O-]

InChI

InChI=1S/C12H9N3O5/c1-2-15-4-5(12(19)20)10(17)8-6(15)3-7(16)11(18)9(8)14-13/h3-4,13H,2H2,1H3,(H,19,20)