ethynyl (E)-3-imidazol-1-yl-2-isocyano-prop-2-enoate

Systemtic Name: ethynyl (E)-3-imidazol-1-yl-2-isocyano-prop-2-enoate Openeye Name: ethynyl (E)-3-imidazol-1-yl-2-isocyano-prop-2-enoate CAS Name: (E)-3-(1-imidazolyl)-2-isocyano-2-propenoic acid ethynyl ester IUPAC Name: ethynyl (E)-3-imidazol-1-yl-2-isocyanoprop-2-enoate Traditional Name: (E)-3-imidazol-1-yl-2-isocyano-acrylic acid ethynyl ester Formula: C9H5N3O2 MolecularWeight: 187.1549

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Descriptors Computed from Structure

Canonical SMILES:

C#COC(=O)C(=CN1C=CN=C1)[N+]#[C-]

Isomeric SMILES

C#COC(=O)/C(=C\N1C=CN=C1)/[N+]#[C-]

InChI

InChI=1S/C9H5N3O2/c1-3-14-9(13)8(10-2)6-12-5-4-11-7-12/h1,4-7H/b8-6+