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

Systemtic Name: O1-ethyl O3-[(4-methylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-(p-tolylmethyl) 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[(4-methylphenyl)methyl] ester IUPAC Name: 1-O-ethyl 3-O-[(4-methylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-(4-methylbenzyl) ester Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO6/c1-3-24-17(20)14-8-15(10-16(9-14)19(22)23)18(21)25-11-13-6-4-12(2)5-7-13/h4-10H,3,11H2,1-2H3