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

Systemtic Name: O1-ethyl O3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] ester IUPAC Name: 1-O-ethyl 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-ethyl ester O3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] ester Formula: C19H16N2O10 MolecularWeight: 432.33774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O10/c1-2-29-18(22)11-3-12(5-15(4-11)20(24)25)19(23)30-9-14-7-16(21(26)27)6-13-8-28-10-31-17(13)14/h3-7H,2,8-10H2,1H3