O3-(1,3-benzodioxol-5-yl) O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO8/c1-2-23-16(19)10-5-11(7-12(6-10)18(21)22)17(20)26-13-3-4-14-15(8-13)25-9-24-14/h3-8H,2,9H2,1H3