(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-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=CC3=C(C(=C2)Cl)OCCO3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H16ClNO8/c1-24-14-7-11(13(20(22)23)8-15(14)25-2)18(21)28-9-10-5-12(19)17-16(6-10)26-3-4-27-17/h5-8H,3-4,9H2,1-2H3