[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenoxy)ethanoate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenoxy)ethanoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(2,5-dimethylphenoxy)acetate CAS Name: 2-(2,5-dimethylphenoxy)acetic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate Traditional Name: 2-(2,5-dimethylphenoxy)acetic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O6/c1-16-3-4-17(2)20(13-16)30-15-22(27)31-14-21(26)24-11-9-23(10-12-24)18-5-7-19(8-6-18)25(28)29/h3-8,13H,9-12,14-15H2,1-2H3