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

Systemtic Name: [4-bromanyl-2-[(E)-[2-(dodecanoylamino)ethanoylhydrazinylidene]methyl]phenyl] benzoate Openeye Name: [4-bromo-2-[(E)-[[2-(dodecanoylamino)acetyl]hydrazono]methyl]phenyl] benzoate CAS Name: benzoic acid [4-bromo-2-[(E)-[[1-oxo-2-(1-oxododecylamino)ethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate Traditional Name: benzoic acid [4-bromo-2-[(E)-[[2-(lauroylamino)acetyl]hydrazono]methyl]phenyl] ester Formula: C28H36BrN3O4 MolecularWeight: 558.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCC(=O)NN=CC1=C(C=CC(=C1)Br)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=C(C=CC(=C1)Br)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C28H36BrN3O4/c1-2-3-4-5-6-7-8-9-13-16-26(33)30-21-27(34)32-31-20-23-19-24(29)17-18-25(23)36-28(35)22-14-11-10-12-15-22/h10-12,14-15,17-20H,2-9,13,16,21H2,1H3,(H,30,33)(H,32,34)/b31-20+