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

Systemtic Name: 2-[3-(4-chloranylcuban-1-yl)-7-iodanyl-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)ethanoic acid Openeye Name: 2-[3-(4-chlorocuban-1-yl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid CAS Name: 2-[3-(4-chloro-1-cubanyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid IUPAC Name: 2-[3-(4-chlorocuban-1-yl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid Traditional Name: 2-[3-(4-chlorocuban-1-yl)-7-iodo-2,5-diketo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(4-chlorophenyl)acetic acid Formula: C25H17Cl2IN2O4 MolecularWeight: 607.22395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(=O)O)N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C45C6C7C4C8C5C6C78Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C(C(=O)O)N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C45C6C7C4C8C5C6C78Cl)Cl

InChI

InChI=1S/C25H17Cl2IN2O4/c26-9-3-1-8(2-4-9)19(23(33)34)30-20(21(31)29-12-6-5-10(28)7-11(12)22(30)32)24-13-16-14(24)18-15(24)17(13)25(16,18)27/h1-7,13-20H,(H,29,31)(H,33,34)