5-fluoranyl-2,4,6-trinitro-N1,N3-di(propan-2-yl)benzene-1,3-diamine

Systemtic Name: 5-fluoranyl-2,4,6-trinitro-N1,N3-di(propan-2-yl)benzene-1,3-diamine Openeye Name: 5-fluoro-N1,N3-diisopropyl-2,4,6-trinitro-benzene-1,3-diamine CAS Name: 5-fluoro-2,4,6-trinitro-N1,N3-di(propan-2-yl)benzene-1,3-diamine IUPAC Name: 5-fluoro-2,4,6-trinitro-1-N,3-N-di(propan-2-yl)benzene-1,3-diamine Traditional Name: [3-fluoro-5-(isopropylamino)-2,4,6-trinitro-phenyl]-isopropyl-amine Formula: C12H16FN5O6 MolecularWeight: 345.283743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C(=C(C(=C1[N+](=O)[O-])F)[N+](=O)[O-])NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C(=C(C(=C1[N+](=O)[O-])F)[N+](=O)[O-])NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H16FN5O6/c1-5(2)14-8-10(16(19)20)7(13)11(17(21)22)9(15-6(3)4)12(8)18(23)24/h5-6,14-15H,1-4H3