(E)-but-2-enedioic acid; 2-[2-(4-ethanoylphenyl)phenyl]-1,1-dimethyl-guanidine

Systemtic Name: (E)-but-2-enedioic acid; 2-[2-(4-ethanoylphenyl)phenyl]-1,1-dimethyl-guanidine Openeye Name: 2-[2-(4-acetylphenyl)phenyl]-1,1-dimethyl-guanidine; fumaric acid CAS Name: 2-[2-(4-acetylphenyl)phenyl]-1,1-dimethylguanidine; (E)-2-butenedioic acid IUPAC Name: 2-[2-(4-acetylphenyl)phenyl]-1,1-dimethylguanidine; (E)-but-2-enedioic acid Traditional Name: 2-[2-(4-acetylphenyl)phenyl]-1,1-dimethyl-guanidine; fumaric acid Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2N=C(N)N(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2N=C(N)N(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19N3O.C4H4O4/c1-12(21)13-8-10-14(11-9-13)15-6-4-5-7-16(15)19-17(18)20(2)3;5-3(6)1-2-4(7)8/h4-11H,1-3H3,(H2,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+