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

Systemtic Name: O1-methyl O3-[2-(2-methylphenoxy)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-(2-methylphenoxy)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-(2-methylphenoxy)ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-(2-methylphenoxy)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-(2-methylphenoxy)ethyl] ester Formula: C18H17NO7 MolecularWeight: 359.33008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCOC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCOC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO7/c1-12-5-3-4-6-16(12)25-7-8-26-18(21)14-9-13(17(20)24-2)10-15(11-14)19(22)23/h3-6,9-11H,7-8H2,1-2H3