[(2Z)-2-(1,3-dimethyl-4H-imidazol-3-ium-5-ylidene)ethyl] 2-isocyanoethanoate

Systemtic Name: [(2Z)-2-(1,3-dimethyl-4H-imidazol-3-ium-5-ylidene)ethyl] 2-isocyanoethanoate Openeye Name: [(2Z)-2-(1,3-dimethyl-4H-imidazol-3-ium-5-ylidene)ethyl] 2-isocyanoacetate CAS Name: 2-isocyanoacetic acid [(2Z)-2-(1,3-dimethyl-4H-imidazol-3-ium-5-ylidene)ethyl] ester IUPAC Name: [(2Z)-2-(1,3-dimethyl-4H-imidazol-3-ium-5-ylidene)ethyl] 2-isocyanoacetate Traditional Name: 2-isocyanoacetic acid [(2Z)-2-(1,3-dimethyl-2-imidazolin-1-ium-4-ylidene)ethyl] ester Formula: C10H14N3O2+ MolecularWeight: 208.23706

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](CC1=CCOC(=O)C[N+]#[C-])C

Isomeric SMILES

CN\1C=[N+](C/C1=C/COC(=O)C[N+]#[C-])C

InChI

InChI=1S/C10H14N3O2/c1-11-6-10(14)15-5-4-9-7-12(2)8-13(9)3/h4,8H,5-7H2,2-3H3/q+1/b9-4-