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

Systemtic Name: ethyl (E)-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]but-2-enoate CAS Name: (E)-3-[[2-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]but-2-enoate Traditional Name: (E)-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]but-2-enoic acid ethyl ester Formula: C16H20F3N3O3 MolecularWeight: 359.34351

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)C(C)N1C(=CC(=N1)C(F)(F)F)C2CC2

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C(C)N1C(=CC(=N1)C(F)(F)F)C2CC2

InChI

InChI=1S/C16H20F3N3O3/c1-4-25-14(23)7-9(2)20-15(24)10(3)22-12(11-5-6-11)8-13(21-22)16(17,18)19/h7-8,10-11H,4-6H2,1-3H3,(H,20,24)/b9-7+