[1-imidazol-1-yl-3-(3-nitrophenoxy)propan-2-yl] 4-iodanylbenzoate

Systemtic Name: [1-imidazol-1-yl-3-(3-nitrophenoxy)propan-2-yl] 4-iodanylbenzoate Openeye Name: [1-(imidazol-1-ylmethyl)-2-(3-nitrophenoxy)ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [1-(1-imidazolyl)-3-(3-nitrophenoxy)propan-2-yl] ester IUPAC Name: [1-imidazol-1-yl-3-(3-nitrophenoxy)propan-2-yl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [1-(imidazol-1-ylmethyl)-2-(3-nitrophenoxy)ethyl] ester Formula: C19H16IN3O5 MolecularWeight: 493.25191

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16IN3O5/c20-15-6-4-14(5-7-15)19(24)28-18(11-22-9-8-21-13-22)12-27-17-3-1-2-16(10-17)23(25)26/h1-10,13,18H,11-12H2