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

Systemtic Name: (1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl) 4-nitrobenzoate Openeye Name: (2-ethoxy-1,1-dimethyl-2-oxo-ethyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (1-ethoxy-2-methyl-1-oxopropan-2-yl) ester IUPAC Name: (1-ethoxy-2-methyl-1-oxopropan-2-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-ethoxy-2-keto-1,1-dimethyl-ethyl) ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6/c1-4-19-12(16)13(2,3)20-11(15)9-5-7-10(8-6-9)14(17)18/h5-8H,4H2,1-3H3