2-[2-iodanyl-6-methoxy-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-iodanyl-6-methoxy-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-iodo-6-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic acid CAS Name: 2-[2-iodo-6-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid IUPAC Name: 2-[2-iodo-6-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetic acid Traditional Name: 2-[2-iodo-4-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-6-methoxy-phenoxy]acetic acid Formula: C20H17IN2O5 MolecularWeight: 492.26385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)I)OCC(=O)O)OC)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C(=C2)I)OCC(=O)O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H17IN2O5/c1-12-15(20(26)23(22-12)14-6-4-3-5-7-14)8-13-9-16(21)19(17(10-13)27-2)28-11-18(24)25/h3-10H,11H2,1-2H3,(H,24,25)/b15-8+