[4-[3-(2,6-dimethyl-4-nitro-phenoxy)-2-oxidanylidene-propanehydrazonoyl]phenyl] 2-bromanylbenzoate

Systemtic Name: [4-[3-(2,6-dimethyl-4-nitro-phenoxy)-2-oxidanylidene-propanehydrazonoyl]phenyl] 2-bromanylbenzoate Openeye Name: [4-[3-(2,6-dimethyl-4-nitro-phenoxy)-2-oxo-propanehydrazonoyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[(1E)-3-(2,6-dimethyl-4-nitrophenoxy)-1-hydrazinylidene-2-oxopropyl]phenyl] ester IUPAC Name: [4-[3-(2,6-dimethyl-4-nitrophenoxy)-2-oxopropanehydrazonoyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-[3-(2,6-dimethyl-4-nitro-phenoxy)-2-keto-propanehydrazonoyl]phenyl] ester Formula: C24H20BrN3O6 MolecularWeight: 526.3361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)C(=NN)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)/C(=N/N)/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br)C)[N+](=O)[O-]

InChI

InChI=1S/C24H20BrN3O6/c1-14-11-17(28(31)32)12-15(2)23(14)33-13-21(29)22(27-26)16-7-9-18(10-8-16)34-24(30)19-5-3-4-6-20(19)25/h3-12H,13,26H2,1-2H3/b27-22+