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

Systemtic Name: ethyl (E)-3-[[4-bromanyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]but-2-enoate CAS Name: (E)-3-[[[4-bromo-1-methyl-5-(trifluoromethyl)-3-pyrazolyl]-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]but-2-enoate Traditional Name: (E)-3-[[4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]but-2-enoic acid ethyl ester Formula: C12H13BrF3N3O3 MolecularWeight: 384.14913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)C1=NN(C(=C1Br)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C1=NN(C(=C1Br)C(F)(F)F)C

InChI

InChI=1S/C12H13BrF3N3O3/c1-4-22-7(20)5-6(2)17-11(21)9-8(13)10(12(14,15)16)19(3)18-9/h5H,4H2,1-3H3,(H,17,21)/b6-5+