[4-[(E)-[2-(4-butan-2-ylphenoxy)ethanoylhydrazinylidene]methyl]-2-ethoxy-phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[(E)-[2-(4-butan-2-ylphenoxy)ethanoylhydrazinylidene]methyl]-2-ethoxy-phenyl] 4-bromanylbenzoate Openeye Name: [2-ethoxy-4-[(E)-[[2-(4-sec-butylphenoxy)acetyl]hydrazono]methyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(E)-[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]hydrazinylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-[[2-(4-butan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-ethoxy-4-[(E)-[[2-(4-sec-butylphenoxy)acetyl]hydrazono]methyl]phenyl] ester Formula: C28H29BrN2O5 MolecularWeight: 553.44426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)OCC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)OCC

InChI

InChI=1S/C28H29BrN2O5/c1-4-19(3)21-9-13-24(14-10-21)35-18-27(32)31-30-17-20-6-15-25(26(16-20)34-5-2)36-28(33)22-7-11-23(29)12-8-22/h6-17,19H,4-5,18H2,1-3H3,(H,31,32)/b30-17+