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

Systemtic Name: 2-[2-bromanyl-6-methyl-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-6-methyl-4-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic acid CAS Name: 2-[2-bromo-6-methyl-4-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid IUPAC Name: 2-[2-bromo-6-methyl-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetic acid Traditional Name: 2-[2-bromo-4-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-6-methyl-phenoxy]acetic acid Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Br)OCC(=O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)Br)OCC(=O)O

InChI

InChI=1S/C20H17BrN2O4/c1-12-8-14(10-17(21)19(12)27-11-18(24)25)9-16-13(2)22-23(20(16)26)15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H,24,25)/b16-9+