5-diazonio-7-ethoxy-1-ethyl-6-oxidanyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 5-diazonio-7-ethoxy-1-ethyl-6-oxidanyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 5-diazonio-7-ethoxy-1-ethyl-6-hydroxy-4-oxo-quinoline-3-carboxylate CAS Name: 5-diazonio-7-ethoxy-1-ethyl-6-hydroxy-4-oxo-3-quinolinecarboxylate IUPAC Name: 5-diazonio-7-ethoxy-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylate Traditional Name: 5-diazonio-7-ethoxy-1-ethyl-6-hydroxy-4-keto-quinoline-3-carboxylate Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5/c1-3-17-6-7(14(20)21)12(18)10-8(17)5-9(22-4-2)13(19)11(10)16-15/h5-6H,3-4H2,1-2H3,(H-,19,20,21)