2-[(4-tert-butyl-2,6-dinitro-phenyl)amino]butan-2-ol

Systemtic Name: 2-[(4-tert-butyl-2,6-dinitro-phenyl)amino]butan-2-ol Openeye Name: 2-(4-tert-butyl-2,6-dinitro-anilino)butan-2-ol CAS Name: 2-(4-tert-butyl-2,6-dinitroanilino)-2-butanol IUPAC Name: 2-(4-tert-butyl-2,6-dinitroanilino)butan-2-ol Traditional Name: 2-(4-tert-butyl-2,6-dinitro-anilino)butan-2-ol Formula: C14H21N3O5 MolecularWeight: 311.33364

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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-])O

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O5/c1-6-14(5,18)15-12-10(16(19)20)7-9(13(2,3)4)8-11(12)17(21)22/h7-8,15,18H,6H2,1-5H3