methyl 4-[(E)-[[3-(4-octoxyphenyl)-1H-pyrazol-5-yl]carbonylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[[3-(4-octoxyphenyl)-1H-pyrazol-5-yl]carbonylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[[3-(4-octoxyphenyl)-1H-pyrazole-5-carbonyl]hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[[3-(4-octoxyphenyl)-1H-pyrazol-5-yl]-oxomethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[[3-(4-octoxyphenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[[3-(4-octoxyphenyl)-1H-pyrazole-5-carbonyl]hydrazono]methyl]benzoic acid methyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C27H32N4O4/c1-3-4-5-6-7-8-17-35-23-15-13-21(14-16-23)24-18-25(30-29-24)26(32)31-28-19-20-9-11-22(12-10-20)27(33)34-2/h9-16,18-19H,3-8,17H2,1-2H3,(H,29,30)(H,31,32)/b28-19+