2-(4-chlorophenyl)-2-[7-iodanyl-2,5-bis(oxidanylidene)-3-[4-[1,1,2,2-tetrakis(fluoranyl)ethoxy]phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]ethanoic acid

Systemtic Name: 2-(4-chlorophenyl)-2-[7-iodanyl-2,5-bis(oxidanylidene)-3-[4-[1,1,2,2-tetrakis(fluoranyl)ethoxy]phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]ethanoic acid Openeye Name: 2-(4-chlorophenyl)-2-[7-iodo-2,5-dioxo-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid CAS Name: 2-(4-chlorophenyl)-2-[7-iodo-2,5-dioxo-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid IUPAC Name: 2-(4-chlorophenyl)-2-[7-iodo-2,5-dioxo-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid Traditional Name: 2-(4-chlorophenyl)-2-[7-iodo-2,5-diketo-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid Formula: C25H16ClF4IN2O5 MolecularWeight: 662.756023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(=O)NC3=C(C=C(C=C3)I)C(=O)N2C(C4=CC=C(C=C4)Cl)C(=O)O)OC(C(F)F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2C(=O)NC3=C(C=C(C=C3)I)C(=O)N2C(C4=CC=C(C=C4)Cl)C(=O)O)OC(C(F)F)(F)F

InChI

InChI=1S/C25H16ClF4IN2O5/c26-14-5-1-13(2-6-14)20(23(36)37)33-19(12-3-8-16(9-4-12)38-25(29,30)24(27)28)21(34)32-18-10-7-15(31)11-17(18)22(33)35/h1-11,19-20,24H,(H,32,34)(H,36,37)