dimethyl (2R,6S)-2,6-bis(4-nitrophenyl)-4-oxidanylidene-1-(phenylmethyl)piperidine-3,5-dicarboxylate

Systemtic Name: dimethyl (2R,6S)-2,6-bis(4-nitrophenyl)-4-oxidanylidene-1-(phenylmethyl)piperidine-3,5-dicarboxylate Openeye Name: dimethyl (2R,6S)-1-benzyl-2,6-bis(4-nitrophenyl)-4-oxo-piperidine-3,5-dicarboxylate CAS Name: (2R,6S)-2,6-bis(4-nitrophenyl)-4-oxo-1-(phenylmethyl)piperidine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2R,6S)-1-benzyl-2,6-bis(4-nitrophenyl)-4-oxopiperidine-3,5-dicarboxylate Traditional Name: (2R,6S)-1-benzyl-4-keto-2,6-bis(4-nitrophenyl)piperidine-3,5-dicarboxylic acid dimethyl ester Formula: C28H25N3O9 MolecularWeight: 547.5128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(N(C(C(C1=O)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1[C@@H](N([C@@H](C(C1=O)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H25N3O9/c1-39-27(33)22-24(18-8-12-20(13-9-18)30(35)36)29(16-17-6-4-3-5-7-17)25(23(26(22)32)28(34)40-2)19-10-14-21(15-11-19)31(37)38/h3-15,22-25H,16H2,1-2H3/t22?,23?,24-,25+