diethyl 5-(2-nitropropyl)-1,3-benzodioxole-2,2-dicarboxylate

Systemtic Name: diethyl 5-(2-nitropropyl)-1,3-benzodioxole-2,2-dicarboxylate Openeye Name: diethyl 5-(2-nitropropyl)-1,3-benzodioxole-2,2-dicarboxylate CAS Name: 5-(2-nitropropyl)-1,3-benzodioxole-2,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(2-nitropropyl)-1,3-benzodioxole-2,2-dicarboxylate Traditional Name: 5-(2-nitropropyl)-1,3-benzodioxole-2,2-dicarboxylic acid diethyl ester Formula: C16H19NO8 MolecularWeight: 353.32396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(OC2=C(O1)C=C(C=C2)CC(C)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(OC2=C(O1)C=C(C=C2)CC(C)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C16H19NO8/c1-4-22-14(18)16(15(19)23-5-2)24-12-7-6-11(9-13(12)25-16)8-10(3)17(20)21/h6-7,9-10H,4-5,8H2,1-3H3