3-(4-chlorophenyl)-3-[3-(4-chlorophenyl)-7-iodanyl-5-oxidanylidene-2,3-dihydro-1H-1,4-benzodiazepin-4-yl]propanoic acid

Systemtic Name: 3-(4-chlorophenyl)-3-[3-(4-chlorophenyl)-7-iodanyl-5-oxidanylidene-2,3-dihydro-1H-1,4-benzodiazepin-4-yl]propanoic acid Openeye Name: 3-(4-chlorophenyl)-3-[3-(4-chlorophenyl)-7-iodo-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl]propanoic acid CAS Name: 3-(4-chlorophenyl)-3-[3-(4-chlorophenyl)-7-iodo-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl]propanoic acid IUPAC Name: 3-(4-chlorophenyl)-3-[3-(4-chlorophenyl)-7-iodo-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl]propanoic acid Traditional Name: 3-(4-chlorophenyl)-3-[3-(4-chlorophenyl)-7-iodo-5-keto-2,3-dihydro-1H-1,4-benzodiazepin-4-yl]propionic acid Formula: C24H19Cl2IN2O3 MolecularWeight: 581.22973

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)C2=C(N1)C=CC(=C2)I)C(CC(=O)O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C(N(C(=O)C2=C(N1)C=CC(=C2)I)C(CC(=O)O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H19Cl2IN2O3/c25-16-5-1-14(2-6-16)21(12-23(30)31)29-22(15-3-7-17(26)8-4-15)13-28-20-10-9-18(27)11-19(20)24(29)32/h1-11,21-22,28H,12-13H2,(H,30,31)