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

Systemtic Name: O1-ethyl O3-[2-(4-methylphenoxy)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(4-methylphenoxy)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(4-methylphenoxy)ethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-(4-methylphenoxy)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(4-methylphenoxy)ethyl] ester Formula: C19H19NO7 MolecularWeight: 373.35666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCCOC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCCOC2=CC=C(C=C2)C

InChI

InChI=1S/C19H19NO7/c1-3-25-18(21)14-10-15(12-16(11-14)20(23)24)19(22)27-9-8-26-17-6-4-13(2)5-7-17/h4-7,10-12H,3,8-9H2,1-2H3