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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

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