[2-acetyloxy-3-[5-(2-fluorophenyl)-7-iodanyl-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]propyl] ethanoate

Systemtic Name: [2-acetyloxy-3-[5-(2-fluorophenyl)-7-iodanyl-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]propyl] ethanoate Openeye Name: [2-acetoxy-3-[5-(2-fluorophenyl)-7-iodo-2-oxo-3H-1,4-benzodiazepin-1-yl]propyl] acetate CAS Name: acetic acid [2-acetyloxy-3-[5-(2-fluorophenyl)-7-iodo-2-oxo-3H-1,4-benzodiazepin-1-yl]propyl] ester IUPAC Name: [2-acetyloxy-3-[5-(2-fluorophenyl)-7-iodo-2-oxo-3H-1,4-benzodiazepin-1-yl]propyl] acetate Traditional Name: acetic acid [2-acetoxy-3-[5-(2-fluorophenyl)-7-iodo-2-keto-3H-1,4-benzodiazepin-1-yl]propyl] ester Formula: C22H20FIN2O5 MolecularWeight: 538.307473

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CN1C(=O)CN=C(C2=C1C=CC(=C2)I)C3=CC=CC=C3F)OC(=O)C

Isomeric SMILES

CC(=O)OCC(CN1C(=O)CN=C(C2=C1C=CC(=C2)I)C3=CC=CC=C3F)OC(=O)C

InChI

InChI=1S/C22H20FIN2O5/c1-13(27)30-12-16(31-14(2)28)11-26-20-8-7-15(24)9-18(20)22(25-10-21(26)29)17-5-3-4-6-19(17)23/h3-9,16H,10-12H2,1-2H3