O1-methyl O3-[(2-phenoxyphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[(2-phenoxyphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[(2-phenoxyphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[(2-phenoxyphenyl)methyl] ester IUPAC Name: 1-O-methyl 3-O-[(2-phenoxyphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-(2-phenoxybenzyl) ester Formula: C22H17NO7 MolecularWeight: 407.37288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2OC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2OC3=CC=CC=C3

InChI

InChI=1S/C22H17NO7/c1-28-21(24)16-11-17(13-18(12-16)23(26)27)22(25)29-14-15-7-5-6-10-20(15)30-19-8-3-2-4-9-19/h2-13H,14H2,1H3