5-butyl-1,6-bis(oxidanylidene)-3,4,2-benzodioxazocine-5-carboxylic acid

Systemtic Name: 5-butyl-1,6-bis(oxidanylidene)-3,4,2-benzodioxazocine-5-carboxylic acid Openeye Name: 5-butyl-1,6-dioxo-3,4,2-benzodioxazocine-5-carboxylic acid CAS Name: 5-butyl-1,6-dioxo-3,4,2-benzodioxazocine-5-carboxylic acid IUPAC Name: 5-butyl-1,6-dioxo-3,4,2-benzodioxazocine-5-carboxylic acid Traditional Name: 5-butyl-1,6-diketo-3,4,2-benzodioxazocine-5-carboxylic acid Formula: C14H15NO6 MolecularWeight: 293.272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)C2=CC=CC=C2C(=O)NOO1)C(=O)O

Isomeric SMILES

CCCCC1(C(=O)C2=CC=CC=C2C(=O)NOO1)C(=O)O

InChI

InChI=1S/C14H15NO6/c1-2-3-8-14(13(18)19)11(16)9-6-4-5-7-10(9)12(17)15-21-20-14/h4-7H,2-3,8H2,1H3,(H,15,17)(H,18,19)