(1,1,1-trideuterio-2-phenyl-propan-2-yl) 4-nitrobenzoate

Systemtic Name: (1,1,1-trideuterio-2-phenyl-propan-2-yl) 4-nitrobenzoate Openeye Name: (2,2,2-trideuterio-1-methyl-1-phenyl-ethyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (1,1,1-trideuterio-2-phenylpropan-2-yl) ester IUPAC Name: (1,1,1-trideuterio-2-phenylpropan-2-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2,2,2-trideuterio-1-methyl-1-phenyl-ethyl) ester Formula: C16H15NO4 MolecularWeight: 288.313085

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

[2H]C([2H])([2H])C(C)(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO4/c1-16(2,13-6-4-3-5-7-13)21-15(18)12-8-10-14(11-9-12)17(19)20/h3-11H,1-2H3/i1D3