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

Systemtic Name: O1-methyl O3-[(3-methylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-(m-tolylmethyl) 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[(3-methylphenyl)methyl] ester IUPAC Name: 1-O-methyl 3-O-[(3-methylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-(3-methylbenzyl) ester Formula: C17H15NO6 MolecularWeight: 329.3041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO6/c1-11-4-3-5-12(6-11)10-24-17(20)14-7-13(16(19)23-2)8-15(9-14)18(21)22/h3-9H,10H2,1-2H3