2-methylbutan-2-yl 4-nitrobenzoate

Systemtic Name: 2-methylbutan-2-yl 4-nitrobenzoate Openeye Name: 1,1-dimethylpropyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-methylbutan-2-yl ester IUPAC Name: 2-methylbutan-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid tert-amyl ester Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-4-12(2,3)17-11(14)9-5-7-10(8-6-9)13(15)16/h5-8H,4H2,1-3H3