3-(2-methylbutan-2-yl)-2,4-dinitro-benzamide

Systemtic Name: 3-(2-methylbutan-2-yl)-2,4-dinitro-benzamide Openeye Name: 3-(1,1-dimethylpropyl)-2,4-dinitro-benzamide CAS Name: 3-(2-methylbutan-2-yl)-2,4-dinitrobenzamide IUPAC Name: 3-(2-methylbutan-2-yl)-2,4-dinitrobenzamide Traditional Name: 3-tert-amyl-2,4-dinitro-benzamide Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O5/c1-4-12(2,3)9-8(14(17)18)6-5-7(11(13)16)10(9)15(19)20/h5-6H,4H2,1-3H3,(H2,13,16)