[3-[[2-(4-bromanylphenoxy)ethanoylhydrazinylidene]methyl]phenyl] 4-nitrobenzoate

Systemtic Name: [3-[[2-(4-bromanylphenoxy)ethanoylhydrazinylidene]methyl]phenyl] 4-nitrobenzoate Openeye Name: [3-[[[2-(4-bromophenoxy)acetyl]hydrazono]methyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-[[[2-(4-bromophenoxy)acetyl]hydrazono]methyl]phenyl] ester Formula: C22H16BrN3O6 MolecularWeight: 498.28294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C=NNC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C=NNC(=O)COC3=CC=C(C=C3)Br

InChI

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