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

Systemtic Name: [(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl] 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [(2S)-1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid [(1S)-2-keto-1-methyl-2-piperidino-ethyl] ester Formula: C22H21ClN2O6 MolecularWeight: 444.86494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)OC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N1CCCCC1)OC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN2O6/c1-14(21(27)24-11-5-2-6-12-24)31-22(28)17-8-4-3-7-16(17)20(26)15-9-10-18(23)19(13-15)25(29)30/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3/t14-/m0/s1