4-tert-butyl-2,6-dimethyl-3,5-dinitro-aniline

Systemtic Name: 4-tert-butyl-2,6-dimethyl-3,5-dinitro-aniline Openeye Name: 4-tert-butyl-2,6-dimethyl-3,5-dinitro-aniline CAS Name: 4-tert-butyl-2,6-dimethyl-3,5-dinitroaniline IUPAC Name: 4-tert-butyl-2,6-dimethyl-3,5-dinitroaniline Traditional Name: (4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)amine Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4/c1-6-9(13)7(2)11(15(18)19)8(12(3,4)5)10(6)14(16)17/h13H2,1-5H3