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

Systemtic Name: O3-(4-cyanophenyl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-(4-cyanophenyl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(4-cyanophenyl) ester O1-methyl ester IUPAC Name: 3-O-(4-cyanophenyl) 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(4-cyanophenyl) ester O1-methyl ester Formula: C16H10N2O6 MolecularWeight: 326.2604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H10N2O6/c1-23-15(19)11-6-12(8-13(7-11)18(21)22)16(20)24-14-4-2-10(9-17)3-5-14/h2-8H,1H3