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

Systemtic Name: methyl (E)-3-(benzotriazol-1-yl)-2-isocyano-prop-2-enoate Openeye Name: methyl (E)-3-(benzotriazol-1-yl)-2-isocyano-prop-2-enoate CAS Name: (E)-3-(1-benzotriazolyl)-2-isocyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(benzotriazol-1-yl)-2-isocyanoprop-2-enoate Traditional Name: (E)-3-(benzotriazol-1-yl)-2-isocyano-acrylic acid methyl ester Formula: C11H8N4O2 MolecularWeight: 228.20682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CN1C2=CC=CC=C2N=N1)[N+]#[C-]

Isomeric SMILES

COC(=O)/C(=C\N1C2=CC=CC=C2N=N1)/[N+]#[C-]

InChI

InChI=1S/C11H8N4O2/c1-12-9(11(16)17-2)7-15-10-6-4-3-5-8(10)13-14-15/h3-7H,2H3/b9-7+