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

Systemtic Name: 3-methyl-5-[(2,4,6-trinitrophenyl)amino]benzenecarbonitrile Openeye Name: 3-methyl-5-(2,4,6-trinitroanilino)benzonitrile CAS Name: 3-methyl-5-(2,4,6-trinitroanilino)benzonitrile IUPAC Name: 3-methyl-5-(2,4,6-trinitroanilino)benzonitrile Traditional Name: 3-methyl-5-(2,4,6-trinitroanilino)benzonitrile Formula: C14H9N5O6 MolecularWeight: 343.25116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C#N)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1)C#N)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9N5O6/c1-8-2-9(7-15)4-10(3-8)16-14-12(18(22)23)5-11(17(20)21)6-13(14)19(24)25/h2-6,16H,1H3