ethyl (E)-3-[3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]but-2-enoate CAS Name: (E)-3-[[3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]but-2-enoate Traditional Name: (E)-3-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]but-2-enoic acid ethyl ester Formula: C14H17BrF3N3O3 MolecularWeight: 412.20229

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)CCN1C(=C(C(=N1)C(F)(F)F)Br)C

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)CCN1C(=C(C(=N1)C(F)(F)F)Br)C

InChI

InChI=1S/C14H17BrF3N3O3/c1-4-24-11(23)7-8(2)19-10(22)5-6-21-9(3)12(15)13(20-21)14(16,17)18/h7H,4-6H2,1-3H3,(H,19,22)/b8-7+