O3-ethyl O1-methyl 4-methyl-2-(2-nitrophenyl)-6-piperidin-1-yl-benzene-1,3-dicarboxylate

Systemtic Name: O3-ethyl O1-methyl 4-methyl-2-(2-nitrophenyl)-6-piperidin-1-yl-benzene-1,3-dicarboxylate Openeye Name: O3-ethyl O1-methyl 4-methyl-2-(2-nitrophenyl)-6-(1-piperidyl)benzene-1,3-dicarboxylate CAS Name: 4-methyl-2-(2-nitrophenyl)-6-(1-piperidinyl)benzene-1,3-dicarboxylic acid O3-ethyl ester O1-methyl ester IUPAC Name: 3-O-ethyl 1-O-methyl 4-methyl-2-(2-nitrophenyl)-6-piperidin-1-ylbenzene-1,3-dicarboxylate Traditional Name: 4-methyl-2-(2-nitrophenyl)-6-piperidino-benzene-1,3-dicarboxylic acid O3-ethyl ester O1-methyl ester Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C=C1C)N2CCCCC2)C(=O)OC)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C=C1C)N2CCCCC2)C(=O)OC)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O6/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/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3