(4-nitrophenyl) 3-(4-butoxy-3-ethoxy-phenyl)propanoate

Systemtic Name: (4-nitrophenyl) 3-(4-butoxy-3-ethoxy-phenyl)propanoate Openeye Name: (4-nitrophenyl) 3-(4-butoxy-3-ethoxy-phenyl)propanoate CAS Name: 3-(4-butoxy-3-ethoxyphenyl)propanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-(4-butoxy-3-ethoxyphenyl)propanoate Traditional Name: 3-(4-butoxy-3-ethoxy-phenyl)propionic acid (4-nitrophenyl) ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H25NO6/c1-3-5-14-27-19-12-6-16(15-20(19)26-4-2)7-13-21(23)28-18-10-8-17(9-11-18)22(24)25/h6,8-12,15H,3-5,7,13-14H2,1-2H3