5-tert-butyl-1-(dinitromethyl)-2,3-dimethyl-benzene

Systemtic Name: 5-tert-butyl-1-(dinitromethyl)-2,3-dimethyl-benzene Openeye Name: 5-tert-butyl-1-(dinitromethyl)-2,3-dimethyl-benzene CAS Name: 5-tert-butyl-1-(dinitromethyl)-2,3-dimethylbenzene IUPAC Name: 5-tert-butyl-1-(dinitromethyl)-2,3-dimethylbenzene Traditional Name: 5-tert-butyl-1-(dinitromethyl)-2,3-dimethyl-benzene Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C)(C)C)C([N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C)(C)C)C([N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C13H18N2O4/c1-8-6-10(13(3,4)5)7-11(9(8)2)12(14(16)17)15(18)19/h6-7,12H,1-5H3