2-[4-[[3,5-bis(chloranyl)phenyl]methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]ethanoate

Systemtic Name: 2-[4-[[3,5-bis(chloranyl)phenyl]methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]ethanoate Openeye Name: 2-[4-[(3,5-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]acetate CAS Name: 2-[4-[(3,5-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]acetate IUPAC Name: 2-[4-[(3,5-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]acetate Traditional Name: 2-[4-(3,5-dichlorobenzyl)-5-keto-3-methyl-3-pyrazolin-1-yl]acetate Formula: C13H11Cl2N2O3- MolecularWeight: 314.14404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)CC(=O)[O-])CC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1)CC(=O)[O-])CC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C13H12Cl2N2O3/c1-7-11(13(20)17(16-7)6-12(18)19)4-8-2-9(14)5-10(15)3-8/h2-3,5,16H,4,6H2,1H3,(H,18,19)/p-1