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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (6-chloro-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=C(C(=C1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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