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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O6/c1-20-12(16)9-6-10(8-11(7-9)15(18)19)13(17)21-5-3-2-4-14/h6-8H,2-3,5H2,1H3