[2-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-(2,5-dichlorophenyl)-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-(2,5-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dichlorophenyl)-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-(2,5-dichlorophenyl)-2-keto-ethyl] ester Formula: C20H18Cl2N2O5 MolecularWeight: 437.27332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=C(C=CC(=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=C(C=CC(=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H18Cl2N2O5/c21-14-5-6-16(22)15(11-14)19(25)12-29-20(26)13-4-7-17(18(10-13)24(27)28)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9,12H2