[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 2-chloranyl-4-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [(2R)-1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-piperidino-ethyl] ester Formula: C15H17ClN2O5 MolecularWeight: 340.75888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2O5/c1-10(14(19)17-7-3-2-4-8-17)23-15(20)12-6-5-11(18(21)22)9-13(12)16/h5-6,9-10H,2-4,7-8H2,1H3/t10-/m1/s1