N-[6-nitro-1-(2-oxidanylidenepropyl)benzotriazol-4-yl]methanamide

Systemtic Name: N-[6-nitro-1-(2-oxidanylidenepropyl)benzotriazol-4-yl]methanamide Openeye Name: N-(1-acetonyl-6-nitro-benzotriazol-4-yl)formamide CAS Name: N-[6-nitro-1-(2-oxopropyl)-4-benzotriazolyl]formamide IUPAC Name: N-[6-nitro-1-(2-oxopropyl)benzotriazol-4-yl]formamide Traditional Name: N-(1-acetonyl-6-nitro-benzotriazol-4-yl)formamide Formula: C10H9N5O4 MolecularWeight: 263.20956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=CC(=CC(=C2N=N1)NC=O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CN1C2=CC(=CC(=C2N=N1)NC=O)[N+](=O)[O-]

InChI

InChI=1S/C10H9N5O4/c1-6(17)4-14-9-3-7(15(18)19)2-8(11-5-16)10(9)12-13-14/h2-3,5H,4H2,1H3,(H,11,16)