(4-nitrophenyl) 2-(3-heptoxyphenoxy)ethanoate

Systemtic Name: (4-nitrophenyl) 2-(3-heptoxyphenoxy)ethanoate Openeye Name: (4-nitrophenyl) 2-(3-heptoxyphenoxy)acetate CAS Name: 2-(3-heptoxyphenoxy)acetic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-(3-heptoxyphenoxy)acetate Traditional Name: 2-(3-heptoxyphenoxy)acetic acid (4-nitrophenyl) ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)OCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)OCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H25NO6/c1-2-3-4-5-6-14-26-19-8-7-9-20(15-19)27-16-21(23)28-18-12-10-17(11-13-18)22(24)25/h7-13,15H,2-6,14,16H2,1H3