O1-methyl O3-[(4-propan-2-ylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[(4-propan-2-ylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(4-isopropylphenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[(4-propan-2-ylphenyl)methyl] ester IUPAC Name: 1-O-methyl 3-O-[(4-propan-2-ylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(4-isopropylbenzyl) ester O1-methyl ester Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO6/c1-12(2)14-6-4-13(5-7-14)11-26-19(22)16-8-15(18(21)25-3)9-17(10-16)20(23)24/h4-10,12H,11H2,1-3H3