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

Systemtic Name: 5-(3-azaniumylpropanoylamino)-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-(3-azaniumylpropanoylamino)-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[(3-ammonio-1-oxopropyl)amino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-(3-azaniumylpropanoylamino)-4-oxo-3H-phthalazin-1-olate Traditional Name: 5-(3-ammoniopropanoylamino)-4-keto-3H-phthalazin-1-olate Formula: C11H12N4O3 MolecularWeight: 248.23798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O3/c12-5-4-8(16)13-7-3-1-2-6-9(7)11(18)15-14-10(6)17/h1-3H,4-5,12H2,(H,13,16)(H,14,17)(H,15,18)