O1-methyl O3-[2-(4-propoxyphenoxy)ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-(4-propoxyphenoxy)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-(4-propoxyphenoxy)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-(4-propoxyphenoxy)ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-(4-propoxyphenoxy)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-(4-propoxyphenoxy)ethyl] ester Formula: C20H21NO8 MolecularWeight: 403.38264

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCCOC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCCOC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO8/c1-3-8-27-17-4-6-18(7-5-17)28-9-10-29-20(23)15-11-14(19(22)26-2)12-16(13-15)21(24)25/h4-7,11-13H,3,8-10H2,1-2H3