O3-[(3,5-dimethylphenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(3,5-dimethylphenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(3,5-dimethylphenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(3,5-dimethylphenyl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(3,5-dimethylphenyl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(3,5-dimethylbenzyl) ester O1-methyl ester Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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