[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] cyclopentanecarboxylate

Systemtic Name: [2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] cyclopentanecarboxylate Openeye Name: [2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C18H22ClN3O5 MolecularWeight: 395.83738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H22ClN3O5/c19-14-5-6-15(16(11-14)22(25)26)20-7-9-21(10-8-20)17(23)12-27-18(24)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10,12H2