methyl 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-iodanyl-phenoxy]propanoate

Systemtic Name: methyl 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-iodanyl-phenoxy]propanoate Openeye Name: methyl 2-[4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-iodo-phenoxy]propanoate CAS Name: 2-[4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-iodophenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-iodophenoxy]propanoate Traditional Name: 2-[4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-iodo-phenoxy]propionic acid methyl ester Formula: C20H17IN2O5 MolecularWeight: 492.26385

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC1=C(C=C(C=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)I

Isomeric SMILES

CC(C(=O)OC)OC1=C(C=C(C=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)I

InChI

InChI=1S/C20H17IN2O5/c1-12(20(26)27-2)28-17-9-8-13(11-16(17)21)10-15-18(24)22-23(19(15)25)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,22,24)