4-oxidanylidene-5-[[(2S,4R)-4-oxidanylpyrrolidin-1-ium-2-yl]carbonylamino]-3H-phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-5-[[(2S,4R)-4-oxidanylpyrrolidin-1-ium-2-yl]carbonylamino]-3H-phthalazin-1-olate Openeye Name: 5-[[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-carbonyl]amino]-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[[[(2S,4R)-4-hydroxy-2-pyrrolidin-1-iumyl]-oxomethyl]amino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-[[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-carbonyl]amino]-4-oxo-3H-phthalazin-1-olate Traditional Name: 5-[[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-carbonyl]amino]-4-keto-3H-phthalazin-1-olate Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)NC2=CC=CC3=C2C(=O)NN=C3[O-])O

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)NC2=CC=CC3=C2C(=O)NN=C3[O-])O

InChI

InChI=1S/C13H14N4O4/c18-6-4-9(14-5-6)12(20)15-8-3-1-2-7-10(8)13(21)17-16-11(7)19/h1-3,6,9,14,18H,4-5H2,(H,15,20)(H,16,19)(H,17,21)/t6-,9+/m1/s1