[(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [(1R)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C20H21N3O5 MolecularWeight: 383.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c21-16-10-9-15(13-17(16)23(26)27)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,2,5-6,11-12,21H2/t18-/m1/s1