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

Systemtic Name: 2-chloranyl-5-[(2,4,6-trinitrophenyl)amino]benzenecarbonitrile Openeye Name: 2-chloro-5-(2,4,6-trinitroanilino)benzonitrile CAS Name: 2-chloro-5-(2,4,6-trinitroanilino)benzonitrile IUPAC Name: 2-chloro-5-(2,4,6-trinitroanilino)benzonitrile Traditional Name: 2-chloro-5-(2,4,6-trinitroanilino)benzonitrile Formula: C13H6ClN5O6 MolecularWeight: 363.66964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C#N)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C#N)Cl

InChI

InChI=1S/C13H6ClN5O6/c14-10-2-1-8(3-7(10)6-15)16-13-11(18(22)23)4-9(17(20)21)5-12(13)19(24)25/h1-5,16H