(4-nitrophenyl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (4-nitrophenyl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (4-nitrophenyl)methyl 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid (4-nitrobenzyl) ester Formula: C21H23N3O6 MolecularWeight: 413.42382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C21H23N3O6/c1-14-9-15(2)12-22(11-14)19-8-5-17(10-20(19)24(28)29)21(25)30-13-16-3-6-18(7-4-16)23(26)27/h3-8,10,14-15H,9,11-13H2,1-2H3