2-[3-(4-chlorophenyl)-3-iodanyl-2,5-bis(oxidanylidene)-1H-1,4-benzodiazepin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)-3-iodanyl-2,5-bis(oxidanylidene)-1H-1,4-benzodiazepin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)-3-iodo-2,5-dioxo-1H-1,4-benzodiazepin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid CAS Name: 2-[3-(4-chlorophenyl)-3-iodo-2,5-dioxo-1H-1,4-benzodiazepin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid IUPAC Name: 2-[3-(4-chlorophenyl)-3-iodo-2,5-dioxo-1H-1,4-benzodiazepin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid Traditional Name: 2-[3-(4-chlorophenyl)-3-iodo-2,5-diketo-1H-1,4-benzodiazepin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid Formula: C24H15ClF3IN2O4 MolecularWeight: 614.73958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(C(=O)N2)(C3=CC=C(C=C3)Cl)I)C(C4=CC=C(C=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(C(=O)N2)(C3=CC=C(C=C3)Cl)I)C(C4=CC=C(C=C4)C(F)(F)F)C(=O)O

InChI

InChI=1S/C24H15ClF3IN2O4/c25-16-11-9-14(10-12-16)23(29)22(35)30-18-4-2-1-3-17(18)20(32)31(23)19(21(33)34)13-5-7-15(8-6-13)24(26,27)28/h1-12,19H,(H,30,35)(H,33,34)