(4-heptoxyphenyl) 2,4-dinitrobenzoate

Systemtic Name: (4-heptoxyphenyl) 2,4-dinitrobenzoate Openeye Name: (4-heptoxyphenyl) 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid (4-heptoxyphenyl) ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7/c1-2-3-4-5-6-13-28-16-8-10-17(11-9-16)29-20(23)18-12-7-15(21(24)25)14-19(18)22(26)27/h7-12,14H,2-6,13H2,1H3