O1-heptyl O4-(4-nitrophenyl) benzene-1,4-dicarboxylate

Systemtic Name: O1-heptyl O4-(4-nitrophenyl) benzene-1,4-dicarboxylate Openeye Name: O1-heptyl O4-(4-nitrophenyl) benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-heptyl ester O4-(4-nitrophenyl) ester IUPAC Name: 1-O-heptyl 4-O-(4-nitrophenyl) benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O1-heptyl ester O4-(4-nitrophenyl) ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-2-3-4-5-6-15-27-20(23)16-7-9-17(10-8-16)21(24)28-19-13-11-18(12-14-19)22(25)26/h7-14H,2-6,15H2,1H3