3-(1-ethanoylimidazol-4-yl)-2-isocyanato-propanoic acid

Systemtic Name: 3-(1-ethanoylimidazol-4-yl)-2-isocyanato-propanoic acid Openeye Name: 3-(1-acetylimidazol-4-yl)-2-isocyanato-propanoic acid CAS Name: 3-(1-acetyl-4-imidazolyl)-2-isocyanatopropanoic acid IUPAC Name: 3-(1-acetylimidazol-4-yl)-2-isocyanatopropanoic acid Traditional Name: 3-(1-acetylimidazol-4-yl)-2-isocyanato-propionic acid Formula: C9H9N3O4 MolecularWeight: 223.18546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(N=C1)CC(C(=O)O)N=C=O

Isomeric SMILES

CC(=O)N1C=C(N=C1)CC(C(=O)O)N=C=O

InChI

InChI=1S/C9H9N3O4/c1-6(14)12-3-7(10-4-12)2-8(9(15)16)11-5-13/h3-4,8H,2H2,1H3,(H,15,16)