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

Systemtic Name: ethyl (E)-3-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]but-2-enoate CAS Name: (E)-3-[[[1-methyl-5-(trifluoromethyl)-3-pyrazolyl]-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]but-2-enoate Traditional Name: (E)-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]but-2-enoic acid ethyl ester Formula: C12H14F3N3O3 MolecularWeight: 305.25307

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)C1=NN(C(=C1)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C1=NN(C(=C1)C(F)(F)F)C

InChI

InChI=1S/C12H14F3N3O3/c1-4-21-10(19)5-7(2)16-11(20)8-6-9(12(13,14)15)18(3)17-8/h5-6H,4H2,1-3H3,(H,16,20)/b7-5+