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

Systemtic Name: ethyl (E)-3-[2-(4-bromanyl-5-methyl-pyrazol-1-yl)propanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[2-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]but-2-enoate CAS Name: (E)-3-[[2-(4-bromo-5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]but-2-enoate Traditional Name: (E)-3-[2-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]but-2-enoic acid ethyl ester Formula: C13H18BrN3O3 MolecularWeight: 344.20432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)C(C)N1C(=C(C=N1)Br)C

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C(C)N1C(=C(C=N1)Br)C

InChI

InChI=1S/C13H18BrN3O3/c1-5-20-12(18)6-8(2)16-13(19)10(4)17-9(3)11(14)7-15-17/h6-7,10H,5H2,1-4H3,(H,16,19)/b8-6+