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

Systemtic Name: [2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] cyclohexanecarboxylate Openeye Name: [2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic 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] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C19H24ClN3O5 MolecularWeight: 409.86396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H24ClN3O5/c20-15-6-7-16(17(12-15)23(26)27)21-8-10-22(11-9-21)18(24)13-28-19(25)14-4-2-1-3-5-14/h6-7,12,14H,1-5,8-11,13H2