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

Systemtic Name: O3-tert-butyl O1-ethyl 4-methyl-2-(2-nitrophenyl)-6-piperidin-1-yl-benzene-1,3-dicarboxylate Openeye Name: O3-tert-butyl O1-ethyl 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-tert-butyl ester O1-ethyl ester IUPAC Name: 3-O-tert-butyl 1-O-ethyl 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-tert-butyl ester O1-ethyl ester Formula: C26H32N2O6 MolecularWeight: 468.54208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O6/c1-6-33-24(29)23-20(27-14-10-7-11-15-27)16-17(2)21(25(30)34-26(3,4)5)22(23)18-12-8-9-13-19(18)28(31)32/h8-9,12-13,16H,6-7,10-11,14-15H2,1-5H3