(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-tert-butyl-3-nitro-benzoate

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-tert-butyl-3-nitro-benzoate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid (2-keto-1-methyl-2-pyrrolidino-ethyl) ester Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCC1)OC(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O5/c1-12(16(21)19-9-5-6-10-19)25-17(22)13-7-8-14(18(2,3)4)15(11-13)20(23)24/h7-8,11-12H,5-6,9-10H2,1-4H3