2-[(2,4,6-trinitrophenyl)amino]isoindole-1,3-dione

Systemtic Name: 2-[(2,4,6-trinitrophenyl)amino]isoindole-1,3-dione Openeye Name: 2-(2,4,6-trinitroanilino)isoindoline-1,3-dione CAS Name: 2-(2,4,6-trinitroanilino)isoindole-1,3-dione IUPAC Name: 2-(2,4,6-trinitroanilino)isoindole-1,3-dione Traditional Name: 2-(2,4,6-trinitroanilino)isoindoline-1,3-quinone Formula: C14H7N5O8 MolecularWeight: 373.23408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H7N5O8/c20-13-8-3-1-2-4-9(8)14(21)16(13)15-12-10(18(24)25)5-7(17(22)23)6-11(12)19(26)27/h1-6,15H