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

Systemtic Name: 2-(4-chlorophenyl)-2-[7-iodanyl-2,5-bis(oxidanylidene)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1,3-dihydro-1,4-benzodiazepin-4-yl]ethanoic acid Openeye Name: 2-(4-chlorophenyl)-2-[7-iodo-2,5-dioxo-3-[5-[3-(trifluoromethyl)phenyl]-2-furyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid CAS Name: 2-(4-chlorophenyl)-2-[7-iodo-2,5-dioxo-3-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid IUPAC Name: 2-(4-chlorophenyl)-2-[7-iodo-2,5-dioxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid Traditional Name: 2-(4-chlorophenyl)-2-[7-iodo-2,5-diketo-3-[5-[3-(trifluoromethyl)phenyl]-2-furyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid Formula: C28H17ClF3IN2O5 MolecularWeight: 680.79766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C3C(=O)NC4=C(C=C(C=C4)I)C(=O)N3C(C5=CC=C(C=C5)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C3C(=O)NC4=C(C=C(C=C4)I)C(=O)N3C(C5=CC=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C28H17ClF3IN2O5/c29-17-6-4-14(5-7-17)23(27(38)39)35-24(25(36)34-20-9-8-18(33)13-19(20)26(35)37)22-11-10-21(40-22)15-2-1-3-16(12-15)28(30,31)32/h1-13,23-24H,(H,34,36)(H,38,39)