1,3-benzodioxol-5-yl 5-nitro-2-piperidin-1-yl-benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: 1,3-benzodioxol-5-yl 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N2O6/c22-19(27-14-5-7-17-18(11-14)26-12-25-17)15-10-13(21(23)24)4-6-16(15)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9,12H2