[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [(1S)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [(1S)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O5/c21-17-10-9-15(23(26)27)13-16(17)20(25)28-18(14-7-3-1-4-8-14)19(24)22-11-5-2-6-12-22/h1,3-4,7-10,13,18H,2,5-6,11-12H2/t18-/m0/s1