ethyl (E)-3-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]but-2-enoate

Systemtic Name: ethyl (E)-3-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]but-2-enoate Openeye Name: ethyl (E)-3-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]but-2-enoate CAS Name: (E)-3-[[3-(4-bromo-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]but-2-enoate Traditional Name: (E)-3-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]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)CN1C=C(C=N1)Br

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrN3O3/c1-4-20-12(18)5-10(3)16-13(19)9(2)7-17-8-11(14)6-15-17/h5-6,8-9H,4,7H2,1-3H3,(H,16,19)/b10-5+