[4-[(E)-[2-(4-butylphenoxy)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[(E)-[2-(4-butylphenoxy)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-[[2-(4-butylphenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-[[2-(4-butylphenoxy)-1-oxoethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[[2-(4-butylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-[[2-(4-butylphenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C27H27BrN2O5 MolecularWeight: 539.41768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OCC(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C27H27BrN2O5/c1-3-4-6-19-9-12-23(13-10-19)34-18-26(31)30-29-17-20-11-14-24(25(15-20)33-2)35-27(32)21-7-5-8-22(28)16-21/h5,7-17H,3-4,6,18H2,1-2H3,(H,30,31)/b29-17+