(4-methoxy-2-nitro-phenyl) 4-(4-tert-butylphenoxy)butanoate

Systemtic Name: (4-methoxy-2-nitro-phenyl) 4-(4-tert-butylphenoxy)butanoate Openeye Name: (4-methoxy-2-nitro-phenyl) 4-(4-tert-butylphenoxy)butanoate CAS Name: 4-(4-tert-butylphenoxy)butanoic acid (4-methoxy-2-nitrophenyl) ester IUPAC Name: (4-methoxy-2-nitrophenyl) 4-(4-tert-butylphenoxy)butanoate Traditional Name: 4-(4-tert-butylphenoxy)butyric acid (4-methoxy-2-nitro-phenyl) ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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