N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,5-dinitro-benzamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,5-dinitro-benzamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,5-dinitro-benzamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,5-dinitrobenzamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,5-dinitrobenzamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,5-dinitro-benzamide Formula: C16H13N3O7 MolecularWeight: 359.29032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O7/c20-16(10-5-11(18(21)22)7-12(6-10)19(23)24)17-8-13-9-25-14-3-1-2-4-15(14)26-13/h1-7,13H,8-9H2,(H,17,20)