(4-iodophenyl) 2-(imidazol-1-ylmethyl)-4-(4-nitrophenoxy)butanoate

Systemtic Name: (4-iodophenyl) 2-(imidazol-1-ylmethyl)-4-(4-nitrophenoxy)butanoate Openeye Name: (4-iodophenyl) 2-(imidazol-1-ylmethyl)-4-(4-nitrophenoxy)butanoate CAS Name: 2-(1-imidazolylmethyl)-4-(4-nitrophenoxy)butanoic acid (4-iodophenyl) ester IUPAC Name: (4-iodophenyl) 2-(imidazol-1-ylmethyl)-4-(4-nitrophenoxy)butanoate Traditional Name: 2-(imidazol-1-ylmethyl)-4-(4-nitrophenoxy)butyric acid (4-iodophenyl) ester Formula: C20H18IN3O5 MolecularWeight: 507.27849

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OCCC(CN2C=CN=C2)C(=O)OC3=CC=C(C=C3)I

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OCCC(CN2C=CN=C2)C(=O)OC3=CC=C(C=C3)I

InChI

InChI=1S/C20H18IN3O5/c21-16-1-5-19(6-2-16)29-20(25)15(13-23-11-10-22-14-23)9-12-28-18-7-3-17(4-8-18)24(26)27/h1-8,10-11,14-15H,9,12-13H2