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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2,3,4-trimethoxybenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H19NO9 MolecularWeight: 405.35546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO9/c1-24-15-5-4-14(17(25-2)18(15)26-3)19(21)28-9-12-7-13(20(22)23)6-11-8-27-10-29-16(11)12/h4-7H,8-10H2,1-3H3