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

Systemtic Name: 2-[2-ethoxy-4-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic acid CAS Name: 2-[2-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid IUPAC Name: 2-[2-ethoxy-4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetic acid Traditional Name: 2-[2-ethoxy-4-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenoxy]acetic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OCC(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OCC(=O)O

InChI

InChI=1S/C21H20N2O5/c1-3-27-19-12-15(9-10-18(19)28-13-20(24)25)11-17-14(2)22-23(21(17)26)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,24,25)