sodium 7,8-dimethoxy-4-oxidanylidene-1H-pyrimido[4,5-b]quinoline-2-carboxylate

Systemtic Name: sodium 7,8-dimethoxy-4-oxidanylidene-1H-pyrimido[4,5-b]quinoline-2-carboxylate Openeye Name: sodium 7,8-dimethoxy-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate CAS Name: sodium 7,8-dimethoxy-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate IUPAC Name: sodium 7,8-dimethoxy-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate Traditional Name: sodium 4-keto-7,8-dimethoxy-1H-pyrimido[4,5-b]quinoline-2-carboxylate Formula: C14H10N3NaO5 MolecularWeight: 323.23607

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC3=C(NC(=NC3=O)C(=O)[O-])N=C2C=C1OC.[Na+]

Isomeric SMILES

COC1=CC2=CC3=C(NC(=NC3=O)C(=O)[O-])N=C2C=C1OC.[Na+]

InChI

InChI=1S/C14H11N3O5.Na/c1-21-9-4-6-3-7-11(15-8(6)5-10(9)22-2)16-12(14(19)20)17-13(7)18;/h3-5H,1-2H3,(H,19,20)(H,15,16,17,18);/q;+1/p-1