O3-(1,3-benzodioxol-5-ylmethyl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-(1,3-benzodioxol-5-ylmethyl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-(1,3-benzodioxol-5-ylmethyl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(1,3-benzodioxol-5-ylmethyl) ester O1-methyl ester IUPAC Name: 3-O-(1,3-benzodioxol-5-ylmethyl) 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-piperonyl ester Formula: C17H13NO8 MolecularWeight: 359.28702

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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)OCO3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H13NO8/c1-23-16(19)11-5-12(7-13(6-11)18(21)22)17(20)24-8-10-2-3-14-15(4-10)26-9-25-14/h2-7H,8-9H2,1H3