O3-[(4-cyanophenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(4-cyanophenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(4-cyanophenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(4-cyanophenyl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(4-cyanophenyl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(4-cyanobenzyl) ester O1-methyl ester Formula: C17H12N2O6 MolecularWeight: 340.28698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H12N2O6/c1-24-16(20)13-6-14(8-15(7-13)19(22)23)17(21)25-10-12-4-2-11(9-18)3-5-12/h2-8H,10H2,1H3