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

Systemtic Name: 4-oxidanyl-4-(1-oxidanylidene-2,3-dihydropyridazino[4,5-b]indol-6-yl)butanoic acid Openeye Name: 4-hydroxy-4-(1-oxo-2,3-dihydropyridazino[4,5-b]indol-6-yl)butanoic acid CAS Name: 4-hydroxy-4-(1-oxo-2,3-dihydropyridazino[4,5-b]indol-6-yl)butanoic acid IUPAC Name: 4-hydroxy-4-(1-oxo-2,3-dihydropyridazino[4,5-b]indol-6-yl)butanoic acid Traditional Name: 4-hydroxy-4-(1-keto-2,3-dihydropyridazin[4,5-b]indol-6-yl)butyric acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=CNNC3=O)N=C2C(=C1)C(CCC(=O)O)O

Isomeric SMILES

C1=CC2=C3C(=CNNC3=O)N=C2C(=C1)C(CCC(=O)O)O

InChI

InChI=1S/C14H13N3O4/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)