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

Systemtic Name: 4-[[2-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenoxy]methyl]benzoic acid Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H20N2O4/c1-17-22(24(28)27(26-17)21-8-3-2-4-9-21)15-20-7-5-6-10-23(20)31-16-18-11-13-19(14-12-18)25(29)30/h2-15H,16H2,1H3,(H,29,30)/b22-15+