[4-bromanyl-2-[(E)-[2-(4-butoxyphenoxy)ethanoylhydrazinylidene]methyl]phenyl] benzoate

Systemtic Name: [4-bromanyl-2-[(E)-[2-(4-butoxyphenoxy)ethanoylhydrazinylidene]methyl]phenyl] benzoate Openeye Name: [4-bromo-2-[(E)-[[2-(4-butoxyphenoxy)acetyl]hydrazono]methyl]phenyl] benzoate CAS Name: benzoic acid [4-bromo-2-[(E)-[[2-(4-butoxyphenoxy)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate Traditional Name: benzoic acid [4-bromo-2-[(E)-[[2-(4-butoxyphenoxy)acetyl]hydrazono]methyl]phenyl] ester Formula: C26H25BrN2O5 MolecularWeight: 525.3911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H25BrN2O5/c1-2-3-15-32-22-10-12-23(13-11-22)33-18-25(30)29-28-17-20-16-21(27)9-14-24(20)34-26(31)19-7-5-4-6-8-19/h4-14,16-17H,2-3,15,18H2,1H3,(H,29,30)/b28-17+