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

Systemtic Name: 1,3-benzodioxol-5-yl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: 1,3-benzodioxol-5-yl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C18H16N2O6 MolecularWeight: 356.32944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6/c21-18(26-13-4-6-16-17(10-13)25-11-24-16)12-3-5-14(15(9-12)20(22)23)19-7-1-2-8-19/h3-6,9-10H,1-2,7-8,11H2