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

Systemtic Name: [4-[(E)-[2-(4-nitrophenoxy)ethanoylhydrazinylidene]methyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[(E)-[[2-(4-nitrophenoxy)acetyl]hydrazono]methyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(E)-[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(E)-[[2-(4-nitrophenoxy)acetyl]hydrazono]methyl]phenyl] ester Formula: C22H16BrN3O6 MolecularWeight: 498.28294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1/C=N/NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H16BrN3O6/c23-17-5-3-16(4-6-17)22(28)32-20-9-1-15(2-10-20)13-24-25-21(27)14-31-19-11-7-18(8-12-19)26(29)30/h1-13H,14H2,(H,25,27)/b24-13+