cyanomethyl 4-[[2,5-bis(oxidanylidene)imidazolidin-1-yl]methyl]benzoate

Systemtic Name: cyanomethyl 4-[[2,5-bis(oxidanylidene)imidazolidin-1-yl]methyl]benzoate Openeye Name: cyanomethyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate CAS Name: 4-[(2,5-dioxo-1-imidazolidinyl)methyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate Traditional Name: 4-[(2,5-diketoimidazolidin-1-yl)methyl]benzoic acid cyanomethyl ester Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=O)N1)CC2=CC=C(C=C2)C(=O)OCC#N

Isomeric SMILES

C1C(=O)N(C(=O)N1)CC2=CC=C(C=C2)C(=O)OCC#N

InChI

InChI=1S/C13H11N3O4/c14-5-6-20-12(18)10-3-1-9(2-4-10)8-16-11(17)7-15-13(16)19/h1-4H,6-8H2,(H,15,19)