[4-[(E)-[2-(4-nitrophenoxy)ethanoylhydrazinylidene]methyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[(E)-[2-(4-nitrophenoxy)ethanoylhydrazinylidene]methyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-[[2-(4-nitrophenoxy)acetyl]hydrazono]methyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-[[2-(4-nitrophenoxy)acetyl]hydrazono]methyl]phenyl] ester Formula: C22H16BrN3O6 MolecularWeight: 498.28294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)OC2=CC=C(C=C2)C=NNC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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