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

Systemtic Name: 2-bromanyl-5-chloranyl-4-[(2,4,6-trinitrophenyl)amino]benzenecarbonitrile Openeye Name: 2-bromo-5-chloro-4-(2,4,6-trinitroanilino)benzonitrile CAS Name: 2-bromo-5-chloro-4-(2,4,6-trinitroanilino)benzonitrile IUPAC Name: 2-bromo-5-chloro-4-(2,4,6-trinitroanilino)benzonitrile Traditional Name: 2-bromo-5-chloro-4-(2,4,6-trinitroanilino)benzonitrile Formula: C13H5BrClN5O6 MolecularWeight: 442.5657

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])NC2=C(C=C(C(=C2)Br)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(=C2)Br)C#N)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H5BrClN5O6/c14-8-4-10(9(15)1-6(8)5-16)17-13-11(19(23)24)2-7(18(21)22)3-12(13)20(25)26/h1-4,17H