(2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl) 4-nitrobenzoate

Systemtic Name: (2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl) 4-nitrobenzoate Openeye Name: (1,1-dimethyl-2-oxo-2-phenyl-ethyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2-methyl-1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (2-methyl-1-oxo-1-phenylpropan-2-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-keto-1,1-dimethyl-2-phenyl-ethyl) ester Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO5/c1-17(2,15(19)12-6-4-3-5-7-12)23-16(20)13-8-10-14(11-9-13)18(21)22/h3-11H,1-2H3