1-[2,5-bis(oxidanylidene)imidazolidin-4-yl]urea; 2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: 1-[2,5-bis(oxidanylidene)imidazolidin-4-yl]urea; 2-oxidanyl-2-phenyl-ethanoate Openeye Name: (2,5-dioxoimidazolidin-4-yl)urea; 2-hydroxy-2-phenyl-acetate CAS Name: (2,5-dioxo-4-imidazolidinyl)urea; 2-hydroxy-2-phenylacetate IUPAC Name: (2,5-dioxoimidazolidin-4-yl)urea; 2-hydroxy-2-phenylacetate Traditional Name: allantoin; 2-hydroxy-2-phenyl-acetate Formula: C12H13N4O6- MolecularWeight: 309.25482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)[O-])O.C1(C(=O)NC(=O)N1)NC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)[O-])O.C1(C(=O)NC(=O)N1)NC(=O)N

InChI

InChI=1S/C8H8O3.C4H6N4O3/c9-7(8(10)11)6-4-2-1-3-5-6;5-3(10)6-1-2(9)8-4(11)7-1/h1-5,7,9H,(H,10,11);1H,(H3,5,6,10)(H2,7,8,9,11)/p-1