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

Systemtic Name: 4-[(2,4,6-trinitrophenyl)amino]benzenecarbonitrile Openeye Name: 4-(2,4,6-trinitroanilino)benzonitrile CAS Name: 4-(2,4,6-trinitroanilino)benzonitrile IUPAC Name: 4-(2,4,6-trinitroanilino)benzonitrile Traditional Name: 4-(2,4,6-trinitroanilino)benzonitrile Formula: C13H7N5O6 MolecularWeight: 329.22458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H7N5O6/c14-7-8-1-3-9(4-2-8)15-13-11(17(21)22)5-10(16(19)20)6-12(13)18(23)24/h1-6,15H