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

Systemtic Name: 5-[[2-ethoxy-4-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[2-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[2-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[2-ethoxy-4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[2-ethoxy-4-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenoxy]methyl]-2-furoic acid Formula: C25H22N2O6 MolecularWeight: 446.45198

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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)OCC4=CC=C(O4)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OCC4=CC=C(O4)C(=O)O

InChI

InChI=1S/C25H22N2O6/c1-3-31-23-14-17(9-11-21(23)32-15-19-10-12-22(33-19)25(29)30)13-20-16(2)26-27(24(20)28)18-7-5-4-6-8-18/h4-14H,3,15H2,1-2H3,(H,29,30)