ethyl (E)-3-[2-(4-bromanyl-5-methyl-pyrazol-1-yl)ethanoylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[2-(4-bromanyl-5-methyl-pyrazol-1-yl)ethanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[2-(4-bromo-5-methyl-pyrazol-1-yl)acetyl]amino]but-2-enoate CAS Name: (E)-3-[[2-(4-bromo-5-methyl-1-pyrazolyl)-1-oxoethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[2-(4-bromo-5-methylpyrazol-1-yl)acetyl]amino]but-2-enoate Traditional Name: (E)-3-[[2-(4-bromo-5-methyl-pyrazol-1-yl)acetyl]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)CN1C(=C(C=N1)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrN3O3/c1-4-19-12(18)5-8(2)15-11(17)7-16-9(3)10(13)6-14-16/h5-6H,4,7H2,1-3H3,(H,15,17)/b8-5+