(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2,5-dimethoxybenzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2,5-dimethoxybenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2,5-dimethoxybenzoate CAS Name: 2,5-dimethoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2,5-dimethoxybenzoate Traditional Name: 2,5-dimethoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H17NO8 MolecularWeight: 375.32948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C18H17NO8/c1-23-14-3-4-16(24-2)15(7-14)18(20)26-9-12-6-13(19(21)22)5-11-8-25-10-27-17(11)12/h3-7H,8-10H2,1-2H3