(E)-but-2-enedioate; 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanenitrile

Systemtic Name: (E)-but-2-enedioate; 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanenitrile Openeye Name: (E)-but-2-enedioate; 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile CAS Name: (E)-2-butenedioate; 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile IUPAC Name: (E)-but-2-enedioate; 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile Traditional Name: 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile fumarate Formula: C16H13N3O4-2 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2=CC=CC=C2)CC#N.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(N=C(N1)C2=CC=CC=C2)CC#N.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C12H11N3.C4H4O4/c1-9-11(7-8-13)15-12(14-9)10-5-3-2-4-6-10;5-3(6)1-2-4(7)8/h2-6H,7H2,1H3,(H,14,15);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+