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

Systemtic Name: O3-(1-cyanoethyl) O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-(1-cyanoethyl) O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(1-cyanoethyl) ester O1-ethyl ester IUPAC Name: 3-O-(1-cyanoethyl) 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(1-cyanoethyl) ester O1-ethyl ester Formula: C13H12N2O6 MolecularWeight: 292.24418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C#N

InChI

InChI=1S/C13H12N2O6/c1-3-20-12(16)9-4-10(6-11(5-9)15(18)19)13(17)21-8(2)7-14/h4-6,8H,3H2,1-2H3