ethyl (E)-3-[2-(4-bromanylpyrazol-1-yl)ethanoylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[2-(4-bromanylpyrazol-1-yl)ethanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[2-(4-bromopyrazol-1-yl)acetyl]amino]but-2-enoate CAS Name: (E)-3-[[2-(4-bromo-1-pyrazolyl)-1-oxoethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[2-(4-bromopyrazol-1-yl)acetyl]amino]but-2-enoate Traditional Name: (E)-3-[[2-(4-bromopyrazol-1-yl)acetyl]amino]but-2-enoic acid ethyl ester Formula: C11H14BrN3O3 MolecularWeight: 316.15116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)CN1C=C(C=N1)Br

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)CN1C=C(C=N1)Br

InChI

InChI=1S/C11H14BrN3O3/c1-3-18-11(17)4-8(2)14-10(16)7-15-6-9(12)5-13-15/h4-6H,3,7H2,1-2H3,(H,14,16)/b8-4+