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

Systemtic Name: ethyl (E)-3-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]but-2-enoate CAS Name: (E)-3-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxobutyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]but-2-enoate Traditional Name: (E)-3-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]but-2-enoic acid ethyl ester Formula: C15H22ClN3O3 MolecularWeight: 327.80648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(=CC(=O)OCC)C)N1C(=C(C(=N1)C)Cl)C

Isomeric SMILES

CCC(C(=O)N/C(=C/C(=O)OCC)/C)N1C(=C(C(=N1)C)Cl)C

InChI

InChI=1S/C15H22ClN3O3/c1-6-12(19-11(5)14(16)10(4)18-19)15(21)17-9(3)8-13(20)22-7-2/h8,12H,6-7H2,1-5H3,(H,17,21)/b9-8+