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

Systemtic Name: ethyl (E)-3-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propanoylamino]but-2-enoate CAS Name: (E)-3-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]but-2-enoate Traditional Name: (E)-3-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propanoylamino]but-2-enoic acid ethyl ester Formula: C14H20ClN3O3 MolecularWeight: 313.7799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O3/c1-6-21-12(19)7-8(2)16-14(20)11(5)18-10(4)13(15)9(3)17-18/h7,11H,6H2,1-5H3,(H,16,20)/b8-7+