ethyl 2-[6-[4-acetamido-2-(trifluoromethyl)phenyl]-5-nitro-cyclohexa-1,5-dien-1-yl]oxypropanoate

Systemtic Name: ethyl 2-[6-[4-acetamido-2-(trifluoromethyl)phenyl]-5-nitro-cyclohexa-1,5-dien-1-yl]oxypropanoate Openeye Name: ethyl 2-[6-[4-acetamido-2-(trifluoromethyl)phenyl]-5-nitro-cyclohexa-1,5-dien-1-yl]oxypropanoate CAS Name: 2-[[6-[4-acetamido-2-(trifluoromethyl)phenyl]-5-nitro-1-cyclohexa-1,5-dienyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[6-[4-acetamido-2-(trifluoromethyl)phenyl]-5-nitrocyclohexa-1,5-dien-1-yl]oxypropanoate Traditional Name: 2-[6-[4-acetamido-2-(trifluoromethyl)phenyl]-5-nitro-cyclohexa-1,5-dien-1-yl]oxypropionic acid ethyl ester Formula: C20H21F3N2O6 MolecularWeight: 442.38575

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CCCC(=C1C2=C(C=C(C=C2)NC(=O)C)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C)OC1=CCCC(=C1C2=C(C=C(C=C2)NC(=O)C)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H21F3N2O6/c1-4-30-19(27)11(2)31-17-7-5-6-16(25(28)29)18(17)14-9-8-13(24-12(3)26)10-15(14)20(21,22)23/h7-11H,4-6H2,1-3H3,(H,24,26)