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

Systemtic Name: 2-[3-(4-chlorophenyl)-7-iodanyl-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-[2-fluoranyl-4-(trifluoromethyl)phenyl]ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-[2-fluoro-4-(trifluoromethyl)phenyl]acetic acid CAS Name: 2-[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-[2-fluoro-4-(trifluoromethyl)phenyl]acetic acid IUPAC Name: 2-[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-[2-fluoro-4-(trifluoromethyl)phenyl]acetic acid Traditional Name: 2-[3-(4-chlorophenyl)-7-iodo-2,5-diketo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-[2-fluoro-4-(trifluoromethyl)phenyl]acetic acid Formula: C24H14ClF4IN2O4 MolecularWeight: 632.730043

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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=C(C=C(C=C4)C(F)(F)F)F)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H14ClF4IN2O4/c25-13-4-1-11(2-5-13)19-21(33)31-18-8-6-14(30)10-16(18)22(34)32(19)20(23(35)36)15-7-3-12(9-17(15)26)24(27,28)29/h1-10,19-20H,(H,31,33)(H,35,36)