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

Systemtic Name: O1-methyl O3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] ester IUPAC Name: 1-O-methyl 3-O-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] ester Formula: C18H14N2O10 MolecularWeight: 418.31116

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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)[N+](=O)[O-])COCO3

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O10/c1-27-17(21)10-2-11(4-14(3-10)19(23)24)18(22)29-8-13-6-15(20(25)26)5-12-7-28-9-30-16(12)13/h2-6H,7-9H2,1H3