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

Systemtic Name: ethyl (E)-3-[3-(4-bromanylpyrazol-1-yl)propanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[3-(4-bromopyrazol-1-yl)propanoylamino]but-2-enoate CAS Name: (E)-3-[[3-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-(4-bromopyrazol-1-yl)propanoylamino]but-2-enoate Traditional Name: (E)-3-[3-(4-bromopyrazol-1-yl)propanoylamino]but-2-enoic acid ethyl ester Formula: C12H16BrN3O3 MolecularWeight: 330.17774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)CCN1C=C(C=N1)Br

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrN3O3/c1-3-19-12(18)6-9(2)15-11(17)4-5-16-8-10(13)7-14-16/h6-8H,3-5H2,1-2H3,(H,15,17)/b9-6+