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

Systemtic Name: [4-[(E)-[2-(4-butoxyphenoxy)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-[[2-(4-butoxyphenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-[[2-(4-butoxyphenoxy)-1-oxoethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-[[2-(4-butoxyphenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C27H27BrN2O6 MolecularWeight: 555.41708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OCC(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)OC

Isomeric SMILES

CCCCOC1=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/C27H27BrN2O6/c1-3-4-14-34-22-9-11-23(12-10-22)35-18-26(31)30-29-17-19-8-13-24(25(15-19)33-2)36-27(32)20-6-5-7-21(28)16-20/h5-13,15-17H,3-4,14,18H2,1-2H3,(H,30,31)/b29-17+