ethyl 4-ethoxy-3-methoxy-benzoate; 2,2,2-tris(fluoranyl)ethanamide

Systemtic Name: ethyl 4-ethoxy-3-methoxy-benzoate; 2,2,2-tris(fluoranyl)ethanamide Openeye Name: ethyl 4-ethoxy-3-methoxy-benzoate; 2,2,2-trifluoroacetamide CAS Name: 4-ethoxy-3-methoxybenzoic acid ethyl ester; 2,2,2-trifluoroacetamide IUPAC Name: ethyl 4-ethoxy-3-methoxybenzoate; 2,2,2-trifluoroacetamide Traditional Name: 4-ethoxy-3-methoxy-benzoic acid ethyl ester; 2,2,2-trifluoroacetamide Formula: C14H18F3NO5 MolecularWeight: 337.29163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC)OC.C(=O)(C(F)(F)F)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC)OC.C(=O)(C(F)(F)F)N

InChI

InChI=1S/C12H16O4.C2H2F3NO/c1-4-15-10-7-6-9(8-11(10)14-3)12(13)16-5-2;3-2(4,5)1(6)7/h6-8H,4-5H2,1-3H3;(H2,6,7)