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

Systemtic Name: [4-[3-(2,6-dimethyl-4-nitro-phenoxy)-2-oxidanylidene-propanehydrazonoyl]phenyl] benzoate Openeye Name: [4-[3-(2,6-dimethyl-4-nitro-phenoxy)-2-oxo-propanehydrazonoyl]phenyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [4-[3-(2,6-dimethyl-4-nitro-phenoxy)-2-keto-propanehydrazonoyl]phenyl] ester Formula: C24H21N3O6 MolecularWeight: 447.44004

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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=C3)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O6/c1-15-12-19(27(30)31)13-16(2)23(15)32-14-21(28)22(26-25)17-8-10-20(11-9-17)33-24(29)18-6-4-3-5-7-18/h3-13H,14,25H2,1-2H3/b26-22+