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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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