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

Systemtic Name: 4-oxidanylidene-5-[[(2R)-pyrrolidin-1-ium-2-yl]carbonylamino]-3H-phthalazin-1-olate Openeye Name: 4-oxo-5-[[(2R)-pyrrolidin-1-ium-2-carbonyl]amino]-3H-phthalazin-1-olate CAS Name: 4-oxo-5-[[oxo-[(2R)-2-pyrrolidin-1-iumyl]methyl]amino]-3H-phthalazin-1-olate IUPAC Name: 4-oxo-5-[[(2R)-pyrrolidin-1-ium-2-carbonyl]amino]-3H-phthalazin-1-olate Traditional Name: 4-keto-5-[[(2R)-pyrrolidin-1-ium-2-carbonyl]amino]-3H-phthalazin-1-olate Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)NC2=CC=CC3=C2C(=O)NN=C3[O-]

Isomeric SMILES

C1C[C@@H]([NH2+]C1)C(=O)NC2=CC=CC3=C2C(=O)NN=C3[O-]

InChI

InChI=1S/C13H14N4O3/c18-11-7-3-1-4-8(10(7)13(20)17-16-11)15-12(19)9-5-2-6-14-9/h1,3-4,9,14H,2,5-6H2,(H,15,19)(H,16,18)(H,17,20)/t9-/m1/s1