ethyl (3S)-1-(4-aminocarbonyl-2-nitro-phenyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(4-aminocarbonyl-2-nitro-phenyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(4-carbamoyl-2-nitro-phenyl)piperidine-3-carboxylate CAS Name: (3S)-1-(4-carbamoyl-2-nitrophenyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(4-carbamoyl-2-nitrophenyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-carbamoyl-2-nitro-phenyl)nipecotic acid ethyl ester Formula: C15H19N3O5 MolecularWeight: 321.32846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O5/c1-2-23-15(20)11-4-3-7-17(9-11)12-6-5-10(14(16)19)8-13(12)18(21)22/h5-6,8,11H,2-4,7,9H2,1H3,(H2,16,19)/t11-/m0/s1