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

Systemtic Name: ethyl (E)-3-(benzotriazol-1-yl)-2-isocyano-prop-2-enoate Openeye Name: ethyl (E)-3-(benzotriazol-1-yl)-2-isocyano-prop-2-enoate CAS Name: (E)-3-(1-benzotriazolyl)-2-isocyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(benzotriazol-1-yl)-2-isocyanoprop-2-enoate Traditional Name: (E)-3-(benzotriazol-1-yl)-2-isocyano-acrylic acid ethyl ester Formula: C12H10N4O2 MolecularWeight: 242.2334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O2/c1-3-18-12(17)10(13-2)8-16-11-7-5-4-6-9(11)14-15-16/h4-8H,3H2,1H3/b10-8+