(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-ethoxybenzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-ethoxybenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H17NO7 MolecularWeight: 359.33008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C18H17NO7/c1-2-24-16-6-4-3-5-15(16)18(20)25-10-13-8-14(19(21)22)7-12-9-23-11-26-17(12)13/h3-8H,2,9-11H2,1H3