4-(6-bromanyl-1-oxidanylidene-phthalazin-2-yl)butanoic acid

Systemtic Name: 4-(6-bromanyl-1-oxidanylidene-phthalazin-2-yl)butanoic acid Openeye Name: 4-(6-bromo-1-oxo-phthalazin-2-yl)butanoic acid CAS Name: 4-(6-bromo-1-oxo-2-phthalazinyl)butanoic acid IUPAC Name: 4-(6-bromo-1-oxophthalazin-2-yl)butanoic acid Traditional Name: 4-(6-bromo-1-keto-phthalazin-2-yl)butyric acid Formula: C12H11BrN2O3 MolecularWeight: 311.13134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C=NN(C2=O)CCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)C=NN(C2=O)CCCC(=O)O

InChI

InChI=1S/C12H11BrN2O3/c13-9-3-4-10-8(6-9)7-14-15(12(10)18)5-1-2-11(16)17/h3-4,6-7H,1-2,5H2,(H,16,17)