1,3-benzodioxol-5-ylmethyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid piperonyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c23-20(26-12-14-4-7-18-19(10-14)28-13-27-18)15-5-6-16(17(11-15)22(24)25)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9,12-13H2