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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

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