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

Systemtic Name: 3-(1-ethanoylimidazol-4-yl)-2-isocyano-propanoic acid Openeye Name: 3-(1-acetylimidazol-4-yl)-2-isocyano-propanoic acid CAS Name: 3-(1-acetyl-4-imidazolyl)-2-isocyanopropanoic acid IUPAC Name: 3-(1-acetylimidazol-4-yl)-2-isocyanopropanoic acid Traditional Name: 3-(1-acetylimidazol-4-yl)-2-isocyano-propionic acid Formula: C9H9N3O3 MolecularWeight: 207.18606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(N=C1)CC(C(=O)O)[N+]#[C-]

Isomeric SMILES

CC(=O)N1C=C(N=C1)CC(C(=O)O)[N+]#[C-]

InChI

InChI=1S/C9H9N3O3/c1-6(13)12-4-7(11-5-12)3-8(10-2)9(14)15/h4-5,8H,3H2,1H3,(H,14,15)