(2,6-dimethoxyphenyl) 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (2,6-dimethoxyphenyl) 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (2,6-dimethoxyphenyl) 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (2,6-dimethoxyphenyl) ester IUPAC Name: (2,6-dimethoxyphenyl) 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (2,6-dimethoxyphenyl) ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-26-17-7-6-8-18(27-2)19(17)28-20(23)14-9-10-15(16(13-14)22(24)25)21-11-4-3-5-12-21/h6-10,13H,3-5,11-12H2,1-2H3