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

Systemtic Name: 5-[[(2S)-2-methylbutyl]amino]-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-[[(2S)-2-methylbutyl]amino]-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[[(2S)-2-methylbutyl]amino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-[[(2S)-2-methylbutyl]amino]-4-oxo-3H-phthalazin-1-olate Traditional Name: 4-keto-5-[[(2S)-2-methylbutyl]amino]-3H-phthalazin-1-olate Formula: C13H16N3O2- MolecularWeight: 246.28504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC1=CC=CC2=C1C(=O)NN=C2[O-]

Isomeric SMILES

CC[C@H](C)CNC1=CC=CC2=C1C(=O)NN=C2[O-]

InChI

InChI=1S/C13H17N3O2/c1-3-8(2)7-14-10-6-4-5-9-11(10)13(18)16-15-12(9)17/h4-6,8,14H,3,7H2,1-2H3,(H,15,17)(H,16,18)/p-1/t8-/m0/s1