[1-[2-(2-cyanoethyl)-5-(2-methoxy-2-oxidanylidene-ethyl)-4-phenyl-pyrazol-3-yl]-2-methoxy-2-oxidanylidene-ethyl] benzoate

Systemtic Name: [1-[2-(2-cyanoethyl)-5-(2-methoxy-2-oxidanylidene-ethyl)-4-phenyl-pyrazol-3-yl]-2-methoxy-2-oxidanylidene-ethyl] benzoate Openeye Name: [1-[2-(2-cyanoethyl)-5-(2-methoxy-2-oxo-ethyl)-4-phenyl-pyrazol-3-yl]-2-methoxy-2-oxo-ethyl] benzoate CAS Name: benzoic acid [1-[2-(2-cyanoethyl)-5-(2-methoxy-2-oxoethyl)-4-phenyl-3-pyrazolyl]-2-methoxy-2-oxoethyl] ester IUPAC Name: [1-[2-(2-cyanoethyl)-5-(2-methoxy-2-oxoethyl)-4-phenylpyrazol-3-yl]-2-methoxy-2-oxoethyl] benzoate Traditional Name: benzoic acid [1-[2-(2-cyanoethyl)-5-(2-keto-2-methoxy-ethyl)-4-phenyl-pyrazol-3-yl]-2-keto-2-methoxy-ethyl] ester Formula: C25H23N3O6 MolecularWeight: 461.46662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN(C(=C1C2=CC=CC=C2)C(C(=O)OC)OC(=O)C3=CC=CC=C3)CCC#N

Isomeric SMILES

COC(=O)CC1=NN(C(=C1C2=CC=CC=C2)C(C(=O)OC)OC(=O)C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C25H23N3O6/c1-32-20(29)16-19-21(17-10-5-3-6-11-17)22(28(27-19)15-9-14-26)23(25(31)33-2)34-24(30)18-12-7-4-8-13-18/h3-8,10-13,23H,9,15-16H2,1-2H3