methyl 4-[(E)-[[5-(4-octoxyphenyl)pyrazolidin-3-yl]carbonylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[[5-(4-octoxyphenyl)pyrazolidin-3-yl]carbonylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[[5-(4-octoxyphenyl)pyrazolidine-3-carbonyl]hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[[5-(4-octoxyphenyl)-3-pyrazolidinyl]-oxomethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[[5-(4-octoxyphenyl)pyrazolidine-3-carbonyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[[5-(4-octoxyphenyl)pyrazolidine-3-carbonyl]hydrazono]methyl]benzoic acid methyl ester Formula: C27H36N4O4 MolecularWeight: 480.59914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2CC(NN2)C(=O)NN=CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2CC(NN2)C(=O)N/N=C/C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C27H36N4O4/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/h9-16,19,24-25,29-30H,3-8,17-18H2,1-2H3,(H,31,32)/b28-19+