(2-methyl-2-nitro-propyl) 4-nitrobenzoate

Systemtic Name: (2-methyl-2-nitro-propyl) 4-nitrobenzoate Openeye Name: (2-methyl-2-nitro-propyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2-methyl-2-nitropropyl) ester IUPAC Name: (2-methyl-2-nitropropyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-methyl-2-nitro-propyl) ester Formula: C11H12N2O6 MolecularWeight: 268.22278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O6/c1-11(2,13(17)18)7-19-10(14)8-3-5-9(6-4-8)12(15)16/h3-6H,7H2,1-2H3