[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(4-chloranyl-2-methyl-phenoxy)propanoate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(4-chloranyl-2-methyl-phenoxy)propanoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(4-chloro-2-methyl-phenoxy)propanoate CAS Name: 2-(4-chloro-2-methylphenoxy)propanoic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate Traditional Name: 2-(4-chloro-2-methyl-phenoxy)propionic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C22H24ClN3O6 MolecularWeight: 461.89546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O6/c1-15-13-17(23)3-8-20(15)32-16(2)22(28)31-14-21(27)25-11-9-24(10-12-25)18-4-6-19(7-5-18)26(29)30/h3-8,13,16H,9-12,14H2,1-2H3