[1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: [1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [2-(2-ethyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [1-(2-ethyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid [2-(2-ethylpiperidino)-2-keto-1-methyl-ethyl] ester Formula: C24H25ClN2O6 MolecularWeight: 472.9181

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)OC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)OC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H25ClN2O6/c1-3-17-8-6-7-13-26(17)23(29)15(2)33-24(30)19-10-5-4-9-18(19)22(28)16-11-12-20(25)21(14-16)27(31)32/h4-5,9-12,14-15,17H,3,6-8,13H2,1-2H3