3-(4-bromophenyl)-2-[7-iodanyl-2,5-bis(oxidanylidene)-3-[4-(trifluoromethyloxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]propanoic acid

Systemtic Name: 3-(4-bromophenyl)-2-[7-iodanyl-2,5-bis(oxidanylidene)-3-[4-(trifluoromethyloxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]propanoic acid Openeye Name: 3-(4-bromophenyl)-2-[7-iodo-2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]propanoic acid CAS Name: 3-(4-bromophenyl)-2-[7-iodo-2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]propanoic acid IUPAC Name: 3-(4-bromophenyl)-2-[7-iodo-2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]propanoic acid Traditional Name: 3-(4-bromophenyl)-2-[7-iodo-2,5-diketo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]propionic acid Formula: C25H17BrF3IN2O5 MolecularWeight: 689.21656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CC=C(C=C4)OC(F)(F)F)Br

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CC=C(C=C4)OC(F)(F)F)Br

InChI

InChI=1S/C25H17BrF3IN2O5/c26-15-5-1-13(2-6-15)11-20(24(35)36)32-21(14-3-8-17(9-4-14)37-25(27,28)29)22(33)31-19-10-7-16(30)12-18(19)23(32)34/h1-10,12,20-21H,11H2,(H,31,33)(H,35,36)