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

Systemtic Name: ethyl (E)-3-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]but-2-enoate CAS Name: (E)-3-[[(4-bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]but-2-enoate Traditional Name: (E)-3-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]but-2-enoic acid ethyl ester Formula: C12H16BrN3O3 MolecularWeight: 330.17774

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC(=CC(=O)OCC)C)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N/C(=C/C(=O)OCC)/C)Br

InChI

InChI=1S/C12H16BrN3O3/c1-4-16-7-9(13)11(15-16)12(18)14-8(3)6-10(17)19-5-2/h6-7H,4-5H2,1-3H3,(H,14,18)/b8-6+