1-(4-tert-butyl-2-methyl-3,5-dinitro-phenyl)propan-1-one

Systemtic Name: 1-(4-tert-butyl-2-methyl-3,5-dinitro-phenyl)propan-1-one Openeye Name: 1-(4-tert-butyl-2-methyl-3,5-dinitro-phenyl)propan-1-one CAS Name: 1-(4-tert-butyl-2-methyl-3,5-dinitrophenyl)-1-propanone IUPAC Name: 1-(4-tert-butyl-2-methyl-3,5-dinitrophenyl)propan-1-one Traditional Name: 1-(4-tert-butyl-2-methyl-3,5-dinitro-phenyl)propan-1-one Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C(=C1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C1=CC(=C(C(=C1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O5/c1-6-11(17)9-7-10(15(18)19)12(14(3,4)5)13(8(9)2)16(20)21/h7H,6H2,1-5H3