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

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-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-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [(1S)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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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-])NCCO

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6/c26-14-11-23-19-10-9-17(25(29)30)15-18(19)22(28)31-20(16-7-3-1-4-8-16)21(27)24-12-5-2-6-13-24/h1,3-4,7-10,15,20,23,26H,2,5-6,11-14H2/t20-/m0/s1