2-(2-butan-2-yl-4,6-dinitro-phenyl)ethanoate

Systemtic Name: 2-(2-butan-2-yl-4,6-dinitro-phenyl)ethanoate Openeye Name: 2-(2,4-dinitro-6-sec-butyl-phenyl)acetate CAS Name: 2-(2-butan-2-yl-4,6-dinitrophenyl)acetate IUPAC Name: 2-(2-butan-2-yl-4,6-dinitrophenyl)acetate Traditional Name: 2-(2,4-dinitro-6-sec-butyl-phenyl)acetate Formula: C12H13N2O6- MolecularWeight: 281.24142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6/c1-3-7(2)9-4-8(13(17)18)5-11(14(19)20)10(9)6-12(15)16/h4-5,7H,3,6H2,1-2H3,(H,15,16)/p-1