N-(2,2-dimethylbutyl)-2,4,6-trinitro-aniline

Systemtic Name: N-(2,2-dimethylbutyl)-2,4,6-trinitro-aniline Openeye Name: N-(2,2-dimethylbutyl)-2,4,6-trinitro-aniline CAS Name: N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline IUPAC Name: N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline Traditional Name: 2,2-dimethylbutyl(picryl)amine Formula: C12H16N4O6 MolecularWeight: 312.27864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CNC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)CNC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O6/c1-4-12(2,3)7-13-11-9(15(19)20)5-8(14(17)18)6-10(11)16(21)22/h5-6,13H,4,7H2,1-3H3