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

Systemtic Name: 2-[3-(2-chlorophenyl)-7-iodanyl-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[3-(2-chlorophenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid CAS Name: 2-[3-(2-chlorophenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid IUPAC Name: 2-[3-(2-chlorophenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid Traditional Name: 2-[3-(2-chlorophenyl)-7-iodo-2,5-diketo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid Formula: C23H16ClIN2O4 MolecularWeight: 546.74161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H16ClIN2O4/c24-17-9-5-4-8-15(17)20-21(28)26-18-11-10-14(25)12-16(18)22(29)27(20)19(23(30)31)13-6-2-1-3-7-13/h1-12,19-20H,(H,26,28)(H,30,31)