sodium 4-oxidanyl-4-(1-oxidanylidene-2,3-dihydropyridazino[4,5-b]indol-8-yl)butanoate

Systemtic Name: sodium 4-oxidanyl-4-(1-oxidanylidene-2,3-dihydropyridazino[4,5-b]indol-8-yl)butanoate Openeye Name: sodium 4-hydroxy-4-(1-oxo-2,3-dihydropyridazino[4,5-b]indol-8-yl)butanoate CAS Name: sodium 4-hydroxy-4-(1-oxo-2,3-dihydropyridazino[4,5-b]indol-8-yl)butanoate IUPAC Name: sodium 4-hydroxy-4-(1-oxo-2,3-dihydropyridazino[4,5-b]indol-8-yl)butanoate Traditional Name: sodium 4-hydroxy-4-(1-keto-2,3-dihydropyridazin[4,5-b]indol-8-yl)butyrate Formula: C14H12N3NaO4 MolecularWeight: 309.25255

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC3=CNNC(=O)C3=C2C=C1C(CCC(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC2=NC3=CNNC(=O)C3=C2C=C1C(CCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C14H13N3O4.Na/c18-11(3-4-12(19)20)7-1-2-9-8(5-7)13-10(16-9)6-15-17-14(13)21;/h1-2,5-6,11,15,18H,3-4H2,(H,17,21)(H,19,20);/q;+1/p-1