(2-oxidanylidene-2-propan-2-yloxy-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C16H20N2O6 MolecularWeight: 336.3398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O6/c1-11(2)24-15(19)10-23-16(20)12-5-6-13(14(9-12)18(21)22)17-7-3-4-8-17/h5-6,9,11H,3-4,7-8,10H2,1-2H3