ethyl 2-[4-bromanyl-2-[[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-bromanyl-2-[[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-bromo-2-[[1-(3-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]phenoxy]acetate CAS Name: 2-[4-bromo-2-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-bromo-2-[[1-(3-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetate Traditional Name: 2-[4-bromo-2-[[1-(3-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]phenoxy]acetic acid ethyl ester Formula: C21H18BrClN2O4 MolecularWeight: 477.73562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)Br)C=C2C(=NN(C2=O)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)Br)C=C2C(=NN(C2=O)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C21H18BrClN2O4/c1-3-28-20(26)12-29-19-8-7-15(22)9-14(19)10-18-13(2)24-25(21(18)27)17-6-4-5-16(23)11-17/h4-11H,3,12H2,1-2H3