(E)-4-oxidanylidene-4-[3-(trifluoromethyl)phenoxy]but-2-enoate; urea

Systemtic Name: (E)-4-oxidanylidene-4-[3-(trifluoromethyl)phenoxy]but-2-enoate; urea Openeye Name: (E)-4-oxo-4-[3-(trifluoromethyl)phenoxy]but-2-enoate; urea CAS Name: (E)-4-oxo-4-[3-(trifluoromethyl)phenoxy]-2-butenoate; urea IUPAC Name: (E)-4-oxo-4-[3-(trifluoromethyl)phenoxy]but-2-enoate; urea Traditional Name: (E)-4-keto-4-[3-(trifluoromethyl)phenoxy]but-2-enoate; urea Formula: C12H10F3N2O5- MolecularWeight: 319.21341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(=O)C=CC(=O)[O-])C(F)(F)F.C(=O)(N)N

Isomeric SMILES

C1=CC(=CC(=C1)OC(=O)/C=C/C(=O)[O-])C(F)(F)F.C(=O)(N)N

InChI

InChI=1S/C11H7F3O4.CH4N2O/c12-11(13,14)7-2-1-3-8(6-7)18-10(17)5-4-9(15)16;2-1(3)4/h1-6H,(H,15,16);(H4,2,3,4)/p-1/b5-4+;