methyl (E)-3-(benzimidazol-1-yl)-2-isocyano-prop-2-enoate

Systemtic Name: methyl (E)-3-(benzimidazol-1-yl)-2-isocyano-prop-2-enoate Openeye Name: methyl (E)-3-(benzimidazol-1-yl)-2-isocyano-prop-2-enoate CAS Name: (E)-3-(1-benzimidazolyl)-2-isocyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(benzimidazol-1-yl)-2-isocyanoprop-2-enoate Traditional Name: (E)-3-(benzimidazol-1-yl)-2-isocyano-acrylic acid methyl ester Formula: C12H9N3O2 MolecularWeight: 227.21876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CN1C=NC2=CC=CC=C21)[N+]#[C-]

Isomeric SMILES

COC(=O)/C(=C\N1C=NC2=CC=CC=C21)/[N+]#[C-]

InChI

InChI=1S/C12H9N3O2/c1-13-10(12(16)17-2)7-15-8-14-9-5-3-4-6-11(9)15/h3-8H,2H3/b10-7+