[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl] 5-bromanylpentanoate

Systemtic Name: [3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl] 5-bromanylpentanoate Openeye Name: [3-(4-oxo-3H-phthalazin-1-yl)phenyl] 5-bromopentanoate CAS Name: 5-bromopentanoic acid [3-(4-oxo-3H-phthalazin-1-yl)phenyl] ester IUPAC Name: [3-(4-oxo-3H-phthalazin-1-yl)phenyl] 5-bromopentanoate Traditional Name: 5-bromovaleric acid [3-(4-keto-3H-phthalazin-1-yl)phenyl] ester Formula: C19H17BrN2O3 MolecularWeight: 401.25388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)OC(=O)CCCCBr

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)OC(=O)CCCCBr

InChI

InChI=1S/C19H17BrN2O3/c20-11-4-3-10-17(23)25-14-7-5-6-13(12-14)18-15-8-1-2-9-16(15)19(24)22-21-18/h1-2,5-9,12H,3-4,10-11H2,(H,22,24)