O3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester O1-methyl ester Formula: C18H13NO9 MolecularWeight: 387.29712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H13NO9/c1-25-17(21)11-4-12(6-13(5-11)19(23)24)18(22)26-8-14(20)10-2-3-15-16(7-10)28-9-27-15/h2-7H,8-9H2,1H3