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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-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)C(=O)OCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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