(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H16ClNO8 MolecularWeight: 409.77454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO8/c1-24-15-6-10(5-14(19)17(15)25-2)18(21)27-8-12-4-13(20(22)23)3-11-7-26-9-28-16(11)12/h3-6H,7-9H2,1-2H3