N-butan-2-yl-4-tert-butyl-2,6-dinitro-aniline

Systemtic Name: N-butan-2-yl-4-tert-butyl-2,6-dinitro-aniline Openeye Name: 4-tert-butyl-2,6-dinitro-N-sec-butyl-aniline CAS Name: N-butan-2-yl-4-tert-butyl-2,6-dinitroaniline IUPAC Name: N-butan-2-yl-4-tert-butyl-2,6-dinitroaniline Traditional Name: (4-tert-butyl-2,6-dinitro-phenyl)-sec-butyl-amine Formula: C28H42N6O8 MolecularWeight: 590.66848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-].CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-].CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/2C14H21N3O4/c2*1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h2*7-9,15H,6H2,1-5H3