1,3-benzodioxol-5-yl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c1-13-6-8-21(9-7-13)16-4-2-14(10-17(16)22(24)25)20(23)28-15-3-5-18-19(11-15)27-12-26-18/h2-5,10-11,13H,6-9,12H2,1H3