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

Systemtic Name: O3-(cyanomethyl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-(cyanomethyl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(cyanomethyl) ester O1-methyl ester IUPAC Name: 3-O-(cyanomethyl) 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(cyanomethyl) ester O1-methyl ester Formula: C11H8N2O6 MolecularWeight: 264.19102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC#N

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC#N

InChI

InChI=1S/C11H8N2O6/c1-18-10(14)7-4-8(11(15)19-3-2-12)6-9(5-7)13(16)17/h4-6H,3H2,1H3