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

Systemtic Name: ethyl (E)-3-[3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]but-2-enoate CAS Name: (E)-3-[[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]but-2-enoate Traditional Name: (E)-3-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]but-2-enoic acid ethyl ester Formula: C16H19BrF3N3O3 MolecularWeight: 438.23957

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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)C2CC2

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)CCN1C(=C(C(=N1)C(F)(F)F)Br)C2CC2

InChI

InChI=1S/C16H19BrF3N3O3/c1-3-26-12(25)8-9(2)21-11(24)6-7-23-14(10-4-5-10)13(17)15(22-23)16(18,19)20/h8,10H,3-7H2,1-2H3,(H,21,24)/b9-8+