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

Systemtic Name: dimethyl (1R,2S)-4-methyl-2-(2-nitrophenyl)-6-piperidin-1-yl-cyclohexa-3,5-diene-1,3-dicarboxylate Openeye Name: dimethyl (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 dimethyl ester IUPAC Name: dimethyl (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 dimethyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(C(=C1)N2CCCCC2)C(=O)OC)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C([C@@H]([C@H](C(=C1)N2CCCCC2)C(=O)OC)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H26N2O6/c1-14-13-17(23-11-7-4-8-12-23)20(22(26)30-3)19(18(14)21(25)29-2)15-9-5-6-10-16(15)24(27)28/h5-6,9-10,13,19-20H,4,7-8,11-12H2,1-3H3/t19-,20-/m0/s1