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

Systemtic Name: [4-[(E)-[2-(dodecanoylamino)ethanoylhydrazinylidene]methyl]phenyl] 2-bromanylbenzoate Openeye Name: [4-[(E)-[[2-(dodecanoylamino)acetyl]hydrazono]methyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[(E)-[[1-oxo-2-(1-oxododecylamino)ethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-[(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=CC=C(C=C1)OC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C28H36BrN3O4/c1-2-3-4-5-6-7-8-9-10-15-26(33)30-21-27(34)32-31-20-22-16-18-23(19-17-22)36-28(35)24-13-11-12-14-25(24)29/h11-14,16-20H,2-10,15,21H2,1H3,(H,30,33)(H,32,34)/b31-20+