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

Systemtic Name: 5-(4-azaniumylbutanoylamino)-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-(4-azaniumylbutanoylamino)-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[(4-ammonio-1-oxobutyl)amino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-(4-azaniumylbutanoylamino)-4-oxo-3H-phthalazin-1-olate Traditional Name: 5-(4-ammoniobutanoylamino)-4-keto-3H-phthalazin-1-olate Formula: C12H14N4O3 MolecularWeight: 262.26456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)CCC[NH3+])C(=O)NN=C2[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)CCC[NH3+])C(=O)NN=C2[O-]

InChI

InChI=1S/C12H14N4O3/c13-6-2-5-9(17)14-8-4-1-3-7-10(8)12(19)16-15-11(7)18/h1,3-4H,2,5-6,13H2,(H,14,17)(H,15,18)(H,16,19)