2-[4-[[1-(3-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-ethoxy-phenoxy]ethanamide

Systemtic Name: 2-[4-[[1-(3-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-ethoxy-phenoxy]ethanamide Openeye Name: 2-[4-[[1-(3-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-ethoxy-phenoxy]acetamide CAS Name: 2-[4-[[1-(3-bromophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-2-ethoxyphenoxy]acetamide IUPAC Name: 2-[4-[[1-(3-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-2-ethoxyphenoxy]acetamide Traditional Name: 2-[4-[[1-(3-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-2-ethoxy-phenoxy]acetamide Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC(=CC=C3)Br)C)OCC(=O)N

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC(=CC=C3)Br)C)OCC(=O)N

InChI

InChI=1S/C21H20BrN3O4/c1-3-28-19-10-14(7-8-18(19)29-12-20(23)26)9-17-13(2)24-25(21(17)27)16-6-4-5-15(22)11-16/h4-11H,3,12H2,1-2H3,(H2,23,26)