O3-ethyl O1-methyl (1R,2S)-4-methyl-2-(2-nitrophenyl)-6-piperidin-1-yl-cyclohexa-3,5-diene-1,3-dicarboxylate

Systemtic Name: O3-ethyl O1-methyl (1R,2S)-4-methyl-2-(2-nitrophenyl)-6-piperidin-1-yl-cyclohexa-3,5-diene-1,3-dicarboxylate Openeye Name: O3-ethyl O1-methyl (1R,2S)-4-methyl-2-(2-nitrophenyl)-6-(1-piperidyl)cyclohexa-3,5-diene-1,3-dicarboxylate CAS Name: (1R,2S)-4-methyl-2-(2-nitrophenyl)-6-(1-piperidinyl)cyclohexa-3,5-diene-1,3-dicarboxylic acid O3-ethyl ester O1-methyl ester IUPAC Name: 3-O-ethyl 1-O-methyl (1R,2S)-4-methyl-2-(2-nitrophenyl)-6-piperidin-1-ylcyclohexa-3,5-diene-1,3-dicarboxylate Traditional Name: (1R,2S)-4-methyl-2-(2-nitrophenyl)-6-piperidino-cyclohexa-3,5-diene-1,3-dicarboxylic acid O3-ethyl ester O1-methyl ester Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OC)N3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C([C@@H]([C@H]1C2=CC=CC=C2[N+](=O)[O-])C(=O)OC)N3CCCCC3)C

InChI

InChI=1S/C23H28N2O6/c1-4-31-23(27)19-15(2)14-18(24-12-8-5-9-13-24)21(22(26)30-3)20(19)16-10-6-7-11-17(16)25(28)29/h6-7,10-11,14,20-21H,4-5,8-9,12-13H2,1-3H3/t20-,21-/m0/s1