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

Systemtic Name: O1-heptyl O2-(4-nitrophenyl) benzene-1,2-dicarboxylate Openeye Name: O1-heptyl O2-(4-nitrophenyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-heptyl ester O2-(4-nitrophenyl) ester IUPAC Name: 1-O-heptyl 2-O-(4-nitrophenyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-heptyl ester O2-(4-nitrophenyl) ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-2-3-4-5-8-15-27-20(23)18-9-6-7-10-19(18)21(24)28-17-13-11-16(12-14-17)22(25)26/h6-7,9-14H,2-5,8,15H2,1H3