(2,5-dimethoxyphenyl)methyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (2,5-dimethoxyphenyl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (2,5-dimethoxyphenyl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (2,5-dimethoxybenzyl) ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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