5-[2-(methylazaniumyl)ethanoylamino]-4-oxidanylidene-3H-phthalazin-1-olate

Systemtic Name: 5-[2-(methylazaniumyl)ethanoylamino]-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-[[2-(methylammonio)acetyl]amino]-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[[2-(methylammonio)-1-oxoethyl]amino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-[[2-(methylazaniumyl)acetyl]amino]-4-oxo-3H-phthalazin-1-olate Traditional Name: 4-keto-5-[[2-(methylammonio)acetyl]amino]-3H-phthalazin-1-olate Formula: C11H12N4O3 MolecularWeight: 248.23798

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(=O)NC1=CC=CC2=C1C(=O)NN=C2[O-]

Isomeric SMILES

C[NH2+]CC(=O)NC1=CC=CC2=C1C(=O)NN=C2[O-]

InChI

InChI=1S/C11H12N4O3/c1-12-5-8(16)13-7-4-2-3-6-9(7)11(18)15-14-10(6)17/h2-4,12H,5H2,1H3,(H,13,16)(H,14,17)(H,15,18)