O3-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl] ester O1-methyl ester Formula: C18H14ClNO8 MolecularWeight: 407.75866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClNO8/c1-25-17(21)11-6-12(8-13(7-11)20(23)24)18(22)28-9-10-4-14(19)16-15(5-10)26-2-3-27-16/h4-8H,2-3,9H2,1H3