(E)-but-2-enedioic acid; 1,2-dimethyl-3-(2-phenylphenyl)guanidine

Systemtic Name: (E)-but-2-enedioic acid; 1,2-dimethyl-3-(2-phenylphenyl)guanidine Openeye Name: 1,2-dimethyl-3-(2-phenylphenyl)guanidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1,2-dimethyl-3-(2-phenylphenyl)guanidine IUPAC Name: (E)-but-2-enedioic acid; 1,2-dimethyl-3-(2-phenylphenyl)guanidine Traditional Name: 1,2-dimethyl-3-(2-phenylphenyl)guanidine; fumaric acid Formula: C19H21N3O4 MolecularWeight: 355.38774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=NC)NC1=CC=CC=C1C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNC(=NC)NC1=CC=CC=C1C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H17N3.C4H4O4/c1-16-15(17-2)18-14-11-7-6-10-13(14)12-8-4-3-5-9-12;5-3(6)1-2-4(7)8/h3-11H,1-2H3,(H2,16,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+