N-[2,6-bis(bromanyl)-4-fluoranyl-phenyl]-N-methyl-2,4,6-trinitro-aniline

Systemtic Name: N-[2,6-bis(bromanyl)-4-fluoranyl-phenyl]-N-methyl-2,4,6-trinitro-aniline Openeye Name: N-(2,6-dibromo-4-fluoro-phenyl)-N-methyl-2,4,6-trinitro-aniline CAS Name: N-(2,6-dibromo-4-fluorophenyl)-N-methyl-2,4,6-trinitroaniline IUPAC Name: N-(2,6-dibromo-4-fluorophenyl)-N-methyl-2,4,6-trinitroaniline Traditional Name: (2,6-dibromo-4-fluoro-phenyl)-methyl-picryl-amine Formula: C13H7Br2FN4O6 MolecularWeight: 494.024283

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C=C2Br)F)Br

Isomeric SMILES

CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C=C2Br)F)Br

InChI

InChI=1S/C13H7Br2FN4O6/c1-17(12-8(14)2-6(16)3-9(12)15)13-10(19(23)24)4-7(18(21)22)5-11(13)20(25)26/h2-5H,1H3