2-[4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-2-chloranyl-6-methoxy-phenoxy]ethanoate

Systemtic Name: 2-[4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-2-chloranyl-6-methoxy-phenoxy]ethanoate Openeye Name: 2-[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-chloro-6-methoxy-phenoxy]acetate CAS Name: 2-[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-chloro-6-methoxyphenoxy]acetate IUPAC Name: 2-[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-chloro-6-methoxyphenoxy]acetate Traditional Name: 2-[4-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-2-chloro-6-methoxy-phenoxy]acetate Formula: C18H18ClN4O6- MolecularWeight: 421.81172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC(=C(C(=C2)Cl)OCC(=O)[O-])OC)C3=C(NNC3=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC(=C(C(=C2)Cl)OCC(=O)[O-])OC)C3=C(NNC3=O)C

InChI

InChI=1S/C18H19ClN4O6/c1-7-13(17(26)22-20-7)15(14-8(2)21-23-18(14)27)9-4-10(19)16(11(5-9)28-3)29-6-12(24)25/h4-5,15H,6H2,1-3H3,(H,24,25)(H2,20,22,26)(H2,21,23,27)/p-1