(E)-4-(benzotriazol-1-yl)-3-methyl-2-(phenylcarbonyl)but-2-enenitrile

Systemtic Name: (E)-4-(benzotriazol-1-yl)-3-methyl-2-(phenylcarbonyl)but-2-enenitrile Openeye Name: (E)-4-(benzotriazol-1-yl)-2-benzoyl-3-methyl-but-2-enenitrile CAS Name: (E)-4-(1-benzotriazolyl)-2-benzoyl-3-methyl-2-butenenitrile IUPAC Name: (E)-4-(benzotriazol-1-yl)-2-benzoyl-3-methylbut-2-enenitrile Traditional Name: (E)-4-(benzotriazol-1-yl)-2-benzoyl-3-methyl-but-2-enenitrile Formula: C18H14N4O MolecularWeight: 302.32996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)C1=CC=CC=C1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

C/C(=C(/C#N)\C(=O)C1=CC=CC=C1)/CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H14N4O/c1-13(12-22-17-10-6-5-9-16(17)20-21-22)15(11-19)18(23)14-7-3-2-4-8-14/h2-10H,12H2,1H3/b15-13+