O3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(6-chloro-4H-1,3-benzodioxin-8-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=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClNO8/c1-25-17(21)10-2-11(6-15(5-10)20(23)24)18(22)27-8-13-4-14(19)3-12-7-26-9-28-16(12)13/h2-6H,7-9H2,1H3