[2-ethoxy-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 4-fluoranylbenzoate

Systemtic Name: [2-ethoxy-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 4-fluoranylbenzoate Openeye Name: [2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-ethoxy-4-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenyl] ester Formula: C26H21FN2O4 MolecularWeight: 444.454343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)OC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H21FN2O4/c1-3-32-24-16-18(9-14-23(24)33-26(31)19-10-12-20(27)13-11-19)15-22-17(2)28-29(25(22)30)21-7-5-4-6-8-21/h4-16H,3H2,1-2H3/b22-15+