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

Systemtic Name: 5-[[(2S)-butan-2-yl]amino]-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-[[(1S)-1-methylpropyl]amino]-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[[(2S)-butan-2-yl]amino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-[[(2S)-butan-2-yl]amino]-4-oxo-3H-phthalazin-1-olate Traditional Name: 4-keto-5-[[(1S)-1-methylpropyl]amino]-3H-phthalazin-1-olate Formula: C12H14N3O2- MolecularWeight: 232.25846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O2/c1-3-7(2)13-9-6-4-5-8-10(9)12(17)15-14-11(8)16/h4-7,13H,3H2,1-2H3,(H,14,16)(H,15,17)/p-1/t7-/m0/s1