3-bromanyl-5-chloranyl-2-fluoranyl-4-[(2,4,6-trinitrophenyl)amino]benzenecarbonitrile

Systemtic Name: 3-bromanyl-5-chloranyl-2-fluoranyl-4-[(2,4,6-trinitrophenyl)amino]benzenecarbonitrile Openeye Name: 3-bromo-5-chloro-2-fluoro-4-(2,4,6-trinitroanilino)benzonitrile CAS Name: 3-bromo-5-chloro-2-fluoro-4-(2,4,6-trinitroanilino)benzonitrile IUPAC Name: 3-bromo-5-chloro-2-fluoro-4-(2,4,6-trinitroanilino)benzonitrile Traditional Name: 3-bromo-5-chloro-2-fluoro-4-(2,4,6-trinitroanilino)benzonitrile Formula: C13H4BrClFN5O6 MolecularWeight: 460.556163

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])NC2=C(C=C(C(=C2Br)F)C#N)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])NC2=C(C=C(C(=C2Br)F)C#N)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H4BrClFN5O6/c14-10-11(16)5(4-17)1-7(15)12(10)18-13-8(20(24)25)2-6(19(22)23)3-9(13)21(26)27/h1-3,18H