O1-(4-methylpentyl) O2-(4-nitrophenyl) benzene-1,2-dicarboxylate

Systemtic Name: O1-(4-methylpentyl) O2-(4-nitrophenyl) benzene-1,2-dicarboxylate Openeye Name: O1-isohexyl O2-(4-nitrophenyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-(4-methylpentyl) ester O2-(4-nitrophenyl) ester IUPAC Name: 1-O-(4-methylpentyl) 2-O-(4-nitrophenyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-isohexyl ester O2-(4-nitrophenyl) ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO6/c1-14(2)6-5-13-26-19(22)17-7-3-4-8-18(17)20(23)27-16-11-9-15(10-12-16)21(24)25/h3-4,7-12,14H,5-6,13H2,1-2H3