sodium 4-oxidanyl-4-(1-oxidanylidene-2,3-dihydropyridazino[4,5-b]indol-6-yl)butanoate

Systemtic Name: sodium 4-oxidanyl-4-(1-oxidanylidene-2,3-dihydropyridazino[4,5-b]indol-6-yl)butanoate Openeye Name: sodium 4-hydroxy-4-(1-oxo-2,3-dihydropyridazino[4,5-b]indol-6-yl)butanoate CAS Name: sodium 4-hydroxy-4-(1-oxo-2,3-dihydropyridazino[4,5-b]indol-6-yl)butanoate IUPAC Name: sodium 4-hydroxy-4-(1-oxo-2,3-dihydropyridazino[4,5-b]indol-6-yl)butanoate Traditional Name: sodium 4-hydroxy-4-(1-keto-2,3-dihydropyridazin[4,5-b]indol-6-yl)butyrate Formula: C14H12N3NaO4 MolecularWeight: 309.25255

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=CNNC3=O)N=C2C(=C1)C(CCC(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC2=C3C(=CNNC3=O)N=C2C(=C1)C(CCC(=O)[O-])O.[Na+]

InChI

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