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

Systemtic Name: 5-[[(2S)-2-azaniumyl-3-methyl-butanoyl]amino]-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-[[(2S)-2-azaniumyl-3-methyl-butanoyl]amino]-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[[(2S)-2-ammonio-3-methyl-1-oxobutyl]amino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-[[(2S)-2-azaniumyl-3-methylbutanoyl]amino]-4-oxo-3H-phthalazin-1-olate Traditional Name: 5-[[(2S)-2-ammonio-3-methyl-butanoyl]amino]-4-keto-3H-phthalazin-1-olate Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3/c1-6(2)10(14)13(20)15-8-5-3-4-7-9(8)12(19)17-16-11(7)18/h3-6,10H,14H2,1-2H3,(H,15,20)(H,16,18)(H,17,19)/t10-/m0/s1