5-[[(2S)-2-azaniumylpropanoyl]amino]-4-oxidanylidene-3H-phthalazin-1-olate

Systemtic Name: 5-[[(2S)-2-azaniumylpropanoyl]amino]-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-[[(2S)-2-azaniumylpropanoyl]amino]-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[[(2S)-2-ammonio-1-oxopropyl]amino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-[[(2S)-2-azaniumylpropanoyl]amino]-4-oxo-3H-phthalazin-1-olate Traditional Name: 5-[[(2S)-2-ammoniopropanoyl]amino]-4-keto-3H-phthalazin-1-olate Formula: C11H12N4O3 MolecularWeight: 248.23798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C(=O)NN=C2[O-])[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=C1C(=O)NN=C2[O-])[NH3+]

InChI

InChI=1S/C11H12N4O3/c1-5(12)9(16)13-7-4-2-3-6-8(7)11(18)15-14-10(6)17/h2-5H,12H2,1H3,(H,13,16)(H,14,17)(H,15,18)/t5-/m0/s1