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1,3-benzodioxol-5-ylmethyl 5-nitro-2-pyrrolidin-1-yl-benzoate

1,3-benzodioxol-5-ylmethyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name:1,3-benzodioxol-5-ylmethyl 5-nitro-2-pyrrolidin-1-yl-benzoate
Openeye Name:1,3-benzodioxol-5-ylmethyl 5-nitro-2-pyrrolidin-1-yl-benzoate
CAS Name:5-nitro-2-(1-pyrrolidinyl)benzoic acid 1,3-benzodioxol-5-ylmethyl ester
IUPAC Name:1,3-benzodioxol-5-ylmethyl 5-nitro-2-pyrrolidin-1-ylbenzoate
Traditional Name:5-nitro-2-pyrrolidino-benzoic acid piperonyl ester
Formula: C19H18N2O6
MolecularWeight: 370.35602
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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC4=C(C=C3)OCO4


Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC4=C(C=C3)OCO4


InChI

InChI=1S/C19H18N2O6/c22-19(25-11-13-3-6-17-18(9-13)27-12-26-17)15-10-14(21(23)24)4-5-16(15)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8,11-12H2


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