methyl 4-[[3-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[3-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[3-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzoate CAS Name: 4-[[3-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]methyl]benzoate Traditional Name: 4-[[3-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenoxy]methyl]benzoic acid methyl ester Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=CC=C2)OCC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=CC(=CC=C2)OCC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O4/c1-18-24(25(29)28(27-18)22-8-4-3-5-9-22)16-20-7-6-10-23(15-20)32-17-19-11-13-21(14-12-19)26(30)31-2/h3-16H,17H2,1-2H3