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

Systemtic Name: O1-methyl O3-[(4-methylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-(p-tolylmethyl) 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[(4-methylphenyl)methyl] ester IUPAC Name: 1-O-methyl 3-O-[(4-methylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-(4-methylbenzyl) ester Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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