(E)-4-(benzotriazol-1-yl)-2-cyano-3-methyl-but-2-enamide

Systemtic Name: (E)-4-(benzotriazol-1-yl)-2-cyano-3-methyl-but-2-enamide Openeye Name: (E)-4-(benzotriazol-1-yl)-2-cyano-3-methyl-but-2-enamide CAS Name: (E)-4-(1-benzotriazolyl)-2-cyano-3-methyl-2-butenamide IUPAC Name: (E)-4-(benzotriazol-1-yl)-2-cyano-3-methylbut-2-enamide Traditional Name: (E)-4-(benzotriazol-1-yl)-2-cyano-3-methyl-but-2-enamide Formula: C12H11N5O MolecularWeight: 241.24864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)N)CN1C2=CC=CC=C2N=N1

Isomeric SMILES

C/C(=C(/C#N)\C(=O)N)/CN1C2=CC=CC=C2N=N1

InChI

InChI=1S/C12H11N5O/c1-8(9(6-13)12(14)18)7-17-11-5-3-2-4-10(11)15-16-17/h2-5H,7H2,1H3,(H2,14,18)/b9-8+