[4-methoxy-3-oxidanylidene-2-(phenylmethyl)-4H-pyridazin-2-ium-5-yl] 2-(4-chloranylphenoxy)ethanoate

Systemtic Name: [4-methoxy-3-oxidanylidene-2-(phenylmethyl)-4H-pyridazin-2-ium-5-yl] 2-(4-chloranylphenoxy)ethanoate Openeye Name: (2-benzyl-4-methoxy-3-oxo-4H-pyridazin-2-ium-5-yl) 2-(4-chlorophenoxy)acetate CAS Name: 2-(4-chlorophenoxy)acetic acid [4-methoxy-3-oxo-2-(phenylmethyl)-4H-pyridazin-2-ium-5-yl] ester IUPAC Name: (2-benzyl-4-methoxy-3-oxo-4H-pyridazin-2-ium-5-yl) 2-(4-chlorophenoxy)acetate Traditional Name: 2-(4-chlorophenoxy)acetic acid (2-benzyl-3-keto-4-methoxy-4H-pyridazin-2-ium-5-yl) ester Formula: C20H18ClN2O5+ MolecularWeight: 401.82032

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(=CN=[N+](C1=O)CC2=CC=CC=C2)OC(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1C(=CN=[N+](C1=O)CC2=CC=CC=C2)OC(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN2O5/c1-26-19-17(28-18(24)13-27-16-9-7-15(21)8-10-16)11-22-23(20(19)25)12-14-5-3-2-4-6-14/h2-11,19H,12-13H2,1H3/q+1