ethyl (E)-3-[(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)carbonylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]but-2-enoate CAS Name: (E)-3-[[(4-bromo-1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]but-2-enoate Traditional Name: (E)-3-[(4-bromo-1,5-dimethyl-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:

CCOC(=O)C=C(C)NC(=O)C1=NN(C(=C1Br)C)C

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C1=NN(C(=C1Br)C)C

InChI

InChI=1S/C12H16BrN3O3/c1-5-19-9(17)6-7(2)14-12(18)11-10(13)8(3)16(4)15-11/h6H,5H2,1-4H3,(H,14,18)/b7-6+