2-[3,5-bis(trifluoromethyl)phenyl]propanamide; (E)-but-2-enedioic acid

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]propanamide; (E)-but-2-enedioic acid Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]propanamide; fumaric acid CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]propanamide; (E)-2-butenedioic acid IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]propanamide; (E)-but-2-enedioic acid Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]propionamide; fumaric acid Formula: C15H13F6NO5 MolecularWeight: 401.257839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H9F6NO.C4H4O4/c1-5(9(18)19)6-2-7(10(12,13)14)4-8(3-6)11(15,16)17;5-3(6)1-2-4(7)8/h2-5H,1H3,(H2,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+