ethyl 2-[4-chloranyl-5-methyl-2-(1-phenylpyrazol-4-yl)carbonyl-phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-chloranyl-5-methyl-2-(1-phenylpyrazol-4-yl)carbonyl-phenoxy]ethanoate Openeye Name: ethyl 2-[4-chloro-5-methyl-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetate CAS Name: 2-[4-chloro-5-methyl-2-[oxo-(1-phenyl-4-pyrazolyl)methyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-chloro-5-methyl-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetate Traditional Name: 2-[4-chloro-5-methyl-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetic acid ethyl ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC(=C(C=C1C(=O)C2=CN(N=C2)C3=CC=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)COC1=CC(=C(C=C1C(=O)C2=CN(N=C2)C3=CC=CC=C3)Cl)C

InChI

InChI=1S/C21H19ClN2O4/c1-3-27-20(25)13-28-19-9-14(2)18(22)10-17(19)21(26)15-11-23-24(12-15)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3