(2-butyl-9-methoxy-7-nitro-3-oxidanylidene-5H-1,4-benzodioxepin-5-yl) ethanoate

Systemtic Name: (2-butyl-9-methoxy-7-nitro-3-oxidanylidene-5H-1,4-benzodioxepin-5-yl) ethanoate Openeye Name: (2-butyl-9-methoxy-7-nitro-3-oxo-5H-1,4-benzodioxepin-5-yl) acetate CAS Name: acetic acid (2-butyl-9-methoxy-7-nitro-3-oxo-5H-1,4-benzodioxepin-5-yl) ester IUPAC Name: (2-butyl-9-methoxy-7-nitro-3-oxo-5H-1,4-benzodioxepin-5-yl) acetate Traditional Name: acetic acid (2-butyl-3-keto-9-methoxy-7-nitro-5H-1,4-benzodioxepin-5-yl) ester Formula: C16H19NO8 MolecularWeight: 353.32396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)OC(C2=CC(=CC(=C2O1)OC)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CCCCC1C(=O)OC(C2=CC(=CC(=C2O1)OC)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C16H19NO8/c1-4-5-6-12-15(19)25-16(23-9(2)18)11-7-10(17(20)21)8-13(22-3)14(11)24-12/h7-8,12,16H,4-6H2,1-3H3