(3,4-dimethoxyphenyl)methyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (3,4-dimethoxyphenyl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (3,4-dimethoxyphenyl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (3,4-dimethoxyphenyl)methyl ester IUPAC Name: (3,4-dimethoxyphenyl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid veratryl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N2O6/c1-27-19-9-6-15(12-20(19)28-2)14-29-21(24)16-7-8-17(18(13-16)23(25)26)22-10-4-3-5-11-22/h6-9,12-13H,3-5,10-11,14H2,1-2H3