N-(1-ethanoylimino-3,9-dinitro-6H-benzotriazolo[2,1-a]benzotriazol-7-yl)ethanamide

Systemtic Name: N-(1-ethanoylimino-3,9-dinitro-6H-benzotriazolo[2,1-a]benzotriazol-7-yl)ethanamide Openeye Name: N-(1-acetylimino-3,9-dinitro-6H-benzotriazolo[2,1-a]benzotriazol-7-yl)acetamide CAS Name: N-(1-acetylimino-3,9-dinitro-6H-benzotriazolo[2,1-a]benzotriazol-7-yl)acetamide IUPAC Name: N-(1-acetylimino-3,9-dinitro-6H-benzotriazolo[2,1-a]benzotriazol-7-yl)acetamide Traditional Name: N-(1-acetylimino-3,9-dinitro-6H-benzotriazolo[2,1-a]benzotriazol-7-yl)acetamide Formula: C16H12N8O6 MolecularWeight: 412.31648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)[N+](=O)[O-])N3N=C4C(=CC(=CC4=NC(=O)C)[N+](=O)[O-])N3N2

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)[N+](=O)[O-])N3N=C4C(=CC(=CC4=NC(=O)C)[N+](=O)[O-])N3N2

InChI

InChI=1S/C16H12N8O6/c1-7(25)17-11-3-9(23(27)28)5-13-15(11)19-22-14-6-10(24(29)30)4-12(18-8(2)26)16(14)20-21(13)22/h3-6,19H,1-2H3,(H,17,25)