4-oxidanylidene-5-(pentylamino)-3H-phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-5-(pentylamino)-3H-phthalazin-1-olate Openeye Name: 4-oxo-5-(pentylamino)-3H-phthalazin-1-olate CAS Name: 4-oxo-5-(pentylamino)-3H-phthalazin-1-olate IUPAC Name: 4-oxo-5-(pentylamino)-3H-phthalazin-1-olate Traditional Name: 5-(amylamino)-4-keto-3H-phthalazin-1-olate Formula: C13H16N3O2- MolecularWeight: 246.28504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=CC=CC2=C1C(=O)NN=C2[O-]

Isomeric SMILES

CCCCCNC1=CC=CC2=C1C(=O)NN=C2[O-]

InChI

InChI=1S/C13H17N3O2/c1-2-3-4-8-14-10-7-5-6-9-11(10)13(18)16-15-12(9)17/h5-7,14H,2-4,8H2,1H3,(H,15,17)(H,16,18)/p-1